(2R)-2-(2-chlorophenyl)-2-piperazin-1-ylethanol;hydrochloride

C12H18Cl2N2O — CID 171183556

IUPAC(2R)-2-(2-chlorophenyl)-2-piperazin-1-ylethanol;hydrochloride
SMILESCl.OC[C@@H](c1ccccc1Cl)N1CCNCC1
InChIInChI=1S/C12H17ClN2O.ClH/c13-11-4-2-1-3-10(11)12(9-16)15-7-5-14-6-8-15;/h1-4,12,14,16H,5-9H2;1H/t12-;/m0./s1
InChIKeyNBVYUTLCWPHYFE-YDALLXLXSA-N
MW277.19 g/mol
LogP1.70
Rot. Bonds3

About (2R)-2-(2-chlorophenyl)-2-piperazin-1-ylethanol;hydrochloride

(2R)-2-(2-chlorophenyl)-2-piperazin-1-ylethanol;hydrochloride (PubChem CID 171183556) has the molecular formula C12H18Cl2N2O and a molecular weight of 277.19 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-piperazin-1-ylethanol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-piperazin-1-ylethanol;hydrochloride
PubChem CID171183556
Molecular FormulaC12H18Cl2N2O
Molecular Weight277.19 g/mol
Exact Mass276.08
IUPAC Name(2R)-2-(2-chlorophenyl)-2-piperazin-1-ylethanol;hydrochloride
SMILESCl.OC[C@@H](c1ccccc1Cl)N1CCNCC1
InChIInChI=1S/C12H17ClN2O.ClH/c13-11-4-2-1-3-10(11)12(9-16)15-7-5-14-6-8-15;/h1-4,12,14,16H,5-9H2;1H/t12-;/m0./s1
InChIKeyNBVYUTLCWPHYFE-YDALLXLXSA-N
XLogP1.70
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenol;hydrochloride
CID 171183032
1-[(1R)-1-(2-chlorophenyl)propyl]piperazine
CID 92754288
2-(2-chloro-4-fluorophenyl)-2-piperazin-1-ylethanol
CID 114064745
1-[(1R)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311166
1-[(1S)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310400
1-[(1R)-1-(2-chlorophenyl)but-3-enyl]piperazine
CID 171294077
(2S)-2-naphthalen-1-yl-2-piperazin-1-ylethanol
CID 171183143
(2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride
CID 171183201
(2S)-2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol
CID 171173695
4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]naphthalen-1-ol;hydrochloride
CID 171183518
1-[(1R)-1-(2,3-dichlorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171277286
(2R)-2-(4-chloro-2-fluorophenyl)-2-piperazin-1-ylethanol
CID 171174264

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-piperazin-1-ylethanol;hydrochloride?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-piperazin-1-ylethanol;hydrochloride (CID 171183556) is (2R)-2-(2-chlorophenyl)-2-piperazin-1-ylethanol;hydrochloride.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-piperazin-1-ylethanol;hydrochloride?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-piperazin-1-ylethanol;hydrochloride is Cl.OC[C@@H](c1ccccc1Cl)N1CCNCC1.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-piperazin-1-ylethanol;hydrochloride?
The InChIKey is NBVYUTLCWPHYFE-YDALLXLXSA-N. The full InChI is InChI=1S/C12H17ClN2O.ClH/c13-11-4-2-1-3-10(11)12(9-16)15-7-5-14-6-8-15;/h1-4,12,14,16H,5-9H2;1H/t12-;/m0./s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-piperazin-1-ylethanol;hydrochloride?
(2R)-2-(2-chlorophenyl)-2-piperazin-1-ylethanol;hydrochloride has a molecular weight of 277.19 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-2-piperazin-1-ylethanol;hydrochloride is sourced from PubChem (CID 171183556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).