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Chemical ID: 5549723

Chemical ID:

5549723

Name [?]:

1-(1-benzyl-4-piperidyl)-4-(2-methylcyclohexyl)-piperazine

SMILES [?]:

CC1CCCCC1N2CCN(CC2)C3CCN(CC3)Cc4ccccc4

InChi [?]:

InChI=1/C23H37N3/c1-20-7-5-6-10-23(20)26-17-15-25(16-18-26)22-11-13-24(14-12-22)19-21-8-3-2-4-9-21/h2-4,8-9,20,22-23H,5-7,10-19H2,1H3

InChi Info:

AuxInfo=1/0/N:1,24,23,25,4,5,3,22,26,6,15,19,16,18,10,12,9,13,20,2,21,14,7,17,11,8/E:(3,4)(8,9)(11,12)(13,14)(15,16)(17,18)/rA:26cCCCCCCCNCCNCCCCCNCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s10;s11;s8s12;s11;s14;s15;s16;s17;s14s18;s17;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₃₇N₃
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	2

ZAP Information [?]

Total:	12.275
Area:	573.92
Solvation:	-2.07301
Coulombic:	-17.0609

Bond Count [?]

All:	29
Single:	26
Double:	3
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	355.56
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	3.94
LogP (Chemaxon):	3.7

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value