[2-(4-benzylpiperazin-1-yl)phenyl]methanol

C18H22N2O — CID 2741998

IUPAC[2-(4-benzylpiperazin-1-yl)phenyl]methanol
SMILESOCc1ccccc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H22N2O/c21-15-17-8-4-5-9-18(17)20-12-10-19(11-13-20)14-16-6-2-1-3-7-16/h1-9,21H,10-15H2
InChIKeyXMNZIYACKKYLJK-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.50
Rot. Bonds4

About [2-(4-benzylpiperazin-1-yl)phenyl]methanol

[2-(4-benzylpiperazin-1-yl)phenyl]methanol (PubChem CID 2741998) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is [2-(4-benzylpiperazin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-(4-benzylpiperazin-1-yl)phenyl]methanol
PubChem CID2741998
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name[2-(4-benzylpiperazin-1-yl)phenyl]methanol
SMILESOCc1ccccc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H22N2O/c21-15-17-8-4-5-9-18(17)20-12-10-19(11-13-20)14-16-6-2-1-3-7-16/h1-9,21H,10-15H2
InChIKeyXMNZIYACKKYLJK-UHFFFAOYSA-N
XLogP2.50
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-benzyl-7-[[2-(hydroxymethyl)phenyl]methyl]-1,4,7-triazonan-1-yl]phenol
CID 142081994
[3-(4-benzylpiperazin-1-yl)-4-pyridinyl]methanol
CID 105066656
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4-[2-(methoxymethyl)phenyl]piperazine;1-[2-(methoxymethyl)phenyl]piperazine
CID 159879194
3-(4-benzylpiperazin-1-yl)-4-chlorobenzoic acid
CID 110452600
[2-(4-benzyl-2-phenylpiperazin-1-yl)phenyl]methanol;(E)-but-2-enedioic acid
CID 23205906
azane;2-(4-benzylpiperazin-1-yl)-6-fluorobenzoic acid
CID 174394059
1-benzyl-4-(2-nitrophenyl)piperazine
CID 518171
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793
[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]methanamine
CID 19627364
1-benzyl-4-(2,3,4-trifluorophenyl)piperazine
CID 110452591

Frequently Asked Questions

What is the IUPAC name of [2-(4-benzylpiperazin-1-yl)phenyl]methanol?
The IUPAC name of [2-(4-benzylpiperazin-1-yl)phenyl]methanol (CID 2741998) is [2-(4-benzylpiperazin-1-yl)phenyl]methanol.
What is the SMILES notation for [2-(4-benzylpiperazin-1-yl)phenyl]methanol?
The canonical SMILES for [2-(4-benzylpiperazin-1-yl)phenyl]methanol is OCc1ccccc1N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of [2-(4-benzylpiperazin-1-yl)phenyl]methanol?
The InChIKey is XMNZIYACKKYLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c21-15-17-8-4-5-9-18(17)20-12-10-19(11-13-20)14-16-6-2-1-3-7-16/h1-9,21H,10-15H2.
What are the key properties of [2-(4-benzylpiperazin-1-yl)phenyl]methanol?
[2-(4-benzylpiperazin-1-yl)phenyl]methanol has a molecular weight of 282.39 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-benzylpiperazin-1-yl)phenyl]methanol is sourced from PubChem (CID 2741998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).