2-[4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]phenol

C18H21ClN2O — CID 8528818

IUPAC2-[4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]phenol
SMILESC[C@@H](c1ccccc1Cl)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C18H21ClN2O/c1-14(15-6-2-3-7-16(15)19)20-10-12-21(13-11-20)17-8-4-5-9-18(17)22/h2-9,14,22H,10-13H2,1H3/t14-/m0/s1
InChIKeyCDFOZGMOTBEIPK-AWEZNQCLSA-N
MW316.83 g/mol
LogP3.93
Rot. Bonds3

About 2-[4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]phenol

2-[4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]phenol (PubChem CID 8528818) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 2-[4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]phenol
PubChem CID8528818
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name2-[4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]phenol
SMILESC[C@@H](c1ccccc1Cl)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C18H21ClN2O/c1-14(15-6-2-3-7-16(15)19)20-10-12-21(13-11-20)17-8-4-5-9-18(17)22/h2-9,14,22H,10-13H2,1H3/t14-/m0/s1
InChIKeyCDFOZGMOTBEIPK-AWEZNQCLSA-N
XLogP3.93
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 55362493
6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 122052880
(2S)-N-[(2-chlorophenyl)methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 9432670
(1-aminocyclopropyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119852070
2-amino-1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 119852079
6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 71976874
6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 146142609
2-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-amine
CID 43118109
2-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazin-1-yl]phenol
CID 122157490
2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-ethylacetamide
CID 134010431
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 46579668
1-[4-[1-(2-hydroxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 82974185

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]phenol?
The IUPAC name of 2-[4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]phenol (CID 8528818) is 2-[4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]phenol?
The canonical SMILES for 2-[4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]phenol is C[C@@H](c1ccccc1Cl)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of 2-[4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]phenol?
The InChIKey is CDFOZGMOTBEIPK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-14(15-6-2-3-7-16(15)19)20-10-12-21(13-11-20)17-8-4-5-9-18(17)22/h2-9,14,22H,10-13H2,1H3/t14-/m0/s1.
What are the key properties of 2-[4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]phenol?
2-[4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]phenol has a molecular weight of 316.83 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]phenol is sourced from PubChem (CID 8528818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).