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Chemical ID: 4547575

Chemical ID:

4547575

Name [?]:

N-benzyl-N-ethyl-1-[(3-fluorophenyl)methyl]piperidin-4-amine

SMILES [?]:

CCN(Cc1ccccc1)C2CCN(CC2)Cc3cccc(c3)F

InChi [?]:

InChI=1/C21H27FN2/c1-2-24(17-18-7-4-3-5-8-18)21-11-13-23(14-12-21)16-19-9-6-10-20(22)15-19/h3-10,15,21H,2,11-14,16-17H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,8,7,9,20,6,10,19,21,12,16,13,15,23,17,4,5,18,22,11,24,14,3/E:(4,5)(7,8)(11,12)(13,14)/rA:24cCCNCCCCCCCCCCNCCCCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3;s11;s12;s13;s14;s11s15;s14;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₇FN₂
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	1

ZAP Information [?]

Total:	10.7351
Area:	544.442
Solvation:	-2.87593
Coulombic:	-16.5588

Bond Count [?]

All:	26
Single:	20
Double:	6
Rotors:	6
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	326.451
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	4.46
LogP (Chemaxon):	4.17

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