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Chemical ID: 5104176

Chemical ID:

5104176

Name [?]:

2-piperazin-1-yl-1-(2,4,5-trimethylphenyl)-ethanol

SMILES [?]:

Cc1cc(c(cc1C)C(CN2CCNCC2)O)C

InChi [?]:

InChI=1/C15H24N2O/c1-11-8-13(3)14(9-12(11)2)15(18)10-17-6-4-16-5-7-17/h8-9,15-16,18H,4-7,10H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,8,18,13,15,12,16,3,6,10,2,7,4,5,9,14,11,17/E:(4,5)(6,7)/rA:18cCCCCCCCCCCNCCNCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;s11;s12;s13;s14;s11s15;s9;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₄N₂O
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	1

ZAP Information [?]

Total:	8.30103
Area:	444.861
Solvation:	-2.8205
Coulombic:	-30.8237

Bond Count [?]

All:	19
Single:	16
Double:	3
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	248.364
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	1.88
LogP (Chemaxon):	2.4

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