(2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride

C12H19ClN2O — CID 171183201

IUPAC(2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride
SMILESCl.OC[C@H](c1ccccc1)N1CCNCC1
InChIInChI=1S/C12H18N2O.ClH/c15-10-12(11-4-2-1-3-5-11)14-8-6-13-7-9-14;/h1-5,12-13,15H,6-10H2;1H/t12-;/m1./s1
InChIKeyGJZNZXORZIDJLQ-UTONKHPSSA-N
MW242.75 g/mol
LogP1.05
Rot. Bonds3

About (2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride

(2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride (PubChem CID 171183201) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is (2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride
PubChem CID171183201
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name(2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride
SMILESCl.OC[C@H](c1ccccc1)N1CCNCC1
InChIInChI=1S/C12H18N2O.ClH/c15-10-12(11-4-2-1-3-5-11)14-8-6-13-7-9-14;/h1-5,12-13,15H,6-10H2;1H/t12-;/m1./s1
InChIKeyGJZNZXORZIDJLQ-UTONKHPSSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-phenoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183512
1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride
CID 171282898
1-(2-chloro-1-phenylethyl)piperazine
CID 59260605
2-(4-fluorophenyl)-2-piperazin-1-ylethanol
CID 11972041
1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride
CID 171295514
(2R)-2-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183535
(2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol
CID 93470965
(2R)-2-(4-tert-butylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183399
(2S)-2-[4-(benzylamino)phenyl]-2-piperazin-1-ylethanol
CID 171182941
1-[(1R)-3-fluoro-1-phenylpropyl]piperazine;hydrochloride
CID 171172730
(2R)-2-naphthalen-2-yl-2-piperazin-1-ylethanol
CID 171183408
(2R)-2-(4-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183352

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride?
The IUPAC name of (2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride (CID 171183201) is (2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride.
What is the SMILES notation for (2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride?
The canonical SMILES for (2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride is Cl.OC[C@H](c1ccccc1)N1CCNCC1.
What is the InChIKey of (2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride?
The InChIKey is GJZNZXORZIDJLQ-UTONKHPSSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c15-10-12(11-4-2-1-3-5-11)14-8-6-13-7-9-14;/h1-5,12-13,15H,6-10H2;1H/t12-;/m1./s1.
What are the key properties of (2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride?
(2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride is sourced from PubChem (CID 171183201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).