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Chemical ID: 5104528

Chemical ID:

5104528

Name [?]:

1-(4-ethoxy-2-methyl-phenyl)-2-piperazin-1-yl-ethanol

SMILES [?]:

CCOc1ccc(c(c1)C)C(CN2CCNCC2)O

InChi [?]:

InChI=1/C15H24N2O2/c1-3-19-13-4-5-14(12(2)10-13)15(18)11-17-8-6-16-7-9-17/h4-5,10,15-16,18H,3,6-9,11H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,10,2,5,6,15,17,14,18,9,12,8,4,7,11,16,13,19,3/E:(6,7)(8,9)/rA:19cCCOCCCCCCCCCNCCNCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s7;s11;s12;s13;s14;s15;s16;s13s17;s11;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₄N₂O₂
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	1

ZAP Information [?]

Total:	7.63556
Area:	467.037
Solvation:	-4.04037
Coulombic:	-37.7599

Bond Count [?]

All:	20
Single:	17
Double:	3
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	264.363
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	1.35
LogP (Chemaxon):	1.56

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value