[(2R)-4-benzylpiperazin-2-yl]methanol;hydrochloride

C12H19ClN2O — CID 155487244

IUPAC[(2R)-4-benzylpiperazin-2-yl]methanol;hydrochloride
SMILESCl.OC[C@H]1CN(Cc2ccccc2)CCN1
InChIInChI=1S/C12H18N2O.ClH/c15-10-12-9-14(7-6-13-12)8-11-4-2-1-3-5-11;/h1-5,12-13,15H,6-10H2;1H/t12-;/m1./s1
InChIKeyHURHEKNESQRGLO-UTONKHPSSA-N
MW242.75 g/mol
LogP0.87
Rot. Bonds3

About [(2R)-4-benzylpiperazin-2-yl]methanol;hydrochloride

[(2R)-4-benzylpiperazin-2-yl]methanol;hydrochloride (PubChem CID 155487244) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is [(2R)-4-benzylpiperazin-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(2R)-4-benzylpiperazin-2-yl]methanol;hydrochloride
PubChem CID155487244
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name[(2R)-4-benzylpiperazin-2-yl]methanol;hydrochloride
SMILESCl.OC[C@H]1CN(Cc2ccccc2)CCN1
InChIInChI=1S/C12H18N2O.ClH/c15-10-12-9-14(7-6-13-12)8-11-4-2-1-3-5-11;/h1-5,12-13,15H,6-10H2;1H/t12-;/m1./s1
InChIKeyHURHEKNESQRGLO-UTONKHPSSA-N
XLogP0.87
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 45356982
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CID 53395029
1-benzyl-3-butylpiperazine
CID 19353079
1-benzyl-3-[(4-fluorophenyl)methyl]piperazine
CID 18703475
4-[(3-benzylpiperazin-1-yl)methyl]benzoic acid
CID 53414066
1-benzyl-3-methylpiperazine;ethane
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(3S)-1-benzyl-3-(3-phenylprop-2-enyl)piperazine
CID 69486967
[4-(2-phenylethyl)-1,4-diazepan-2-yl]methanol
CID 82243271
4-[[(2R)-4-benzylpiperazin-2-yl]methyl]benzonitrile
CID 59325125
3-[[(3S)-3-benzylpiperazin-1-yl]methyl]benzoic acid;hydrochloride
CID 146013000
(3S)-1-benzyl-3-phenylpiperazine
CID 51910764

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-benzylpiperazin-2-yl]methanol;hydrochloride?
The IUPAC name of [(2R)-4-benzylpiperazin-2-yl]methanol;hydrochloride (CID 155487244) is [(2R)-4-benzylpiperazin-2-yl]methanol;hydrochloride.
What is the SMILES notation for [(2R)-4-benzylpiperazin-2-yl]methanol;hydrochloride?
The canonical SMILES for [(2R)-4-benzylpiperazin-2-yl]methanol;hydrochloride is Cl.OC[C@H]1CN(Cc2ccccc2)CCN1.
What is the InChIKey of [(2R)-4-benzylpiperazin-2-yl]methanol;hydrochloride?
The InChIKey is HURHEKNESQRGLO-UTONKHPSSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c15-10-12-9-14(7-6-13-12)8-11-4-2-1-3-5-11;/h1-5,12-13,15H,6-10H2;1H/t12-;/m1./s1.
What are the key properties of [(2R)-4-benzylpiperazin-2-yl]methanol;hydrochloride?
[(2R)-4-benzylpiperazin-2-yl]methanol;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-benzylpiperazin-2-yl]methanol;hydrochloride is sourced from PubChem (CID 155487244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).