(1R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenylethanol

C18H21ClN2O — CID 2101809

IUPAC(1R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenylethanol
SMILESO[C@@H](CN1CCN(c2ccccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C18H21ClN2O/c19-16-8-4-5-9-17(16)21-12-10-20(11-13-21)14-18(22)15-6-2-1-3-7-15/h1-9,18,22H,10-14H2/t18-/m0/s1
InChIKeyPNWMQQKQDQGVLS-SFHVURJKSA-N
MW316.83 g/mol
LogP3.20
Rot. Bonds4

About (1R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenylethanol

(1R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenylethanol (PubChem CID 2101809) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is (1R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenylethanol
PubChem CID2101809
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name(1R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenylethanol
SMILESO[C@@H](CN1CCN(c2ccccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C18H21ClN2O/c19-16-8-4-5-9-17(16)21-12-10-20(11-13-21)14-18(22)15-6-2-1-3-7-15/h1-9,18,22H,10-14H2/t18-/m0/s1
InChIKeyPNWMQQKQDQGVLS-SFHVURJKSA-N
XLogP3.20
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-benzhydryloxy-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 2327371
2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 16673733
3-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpropanoic acid
CID 43538753
(1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride
CID 69054522
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 60635306
(1R)-2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylethanol
CID 95314204
4-[1-hydroxy-2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]benzene-1,2-diol
CID 176946490
3-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenol
CID 110880205
1-phenyl-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol
CID 111462476
(1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol
CID 95319125
(2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322239
2-[4-(3-aminopropyl)piperazin-1-yl]-1-phenylethanol
CID 112513599

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenylethanol?
The IUPAC name of (1R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenylethanol (CID 2101809) is (1R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenylethanol?
The canonical SMILES for (1R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenylethanol is O[C@@H](CN1CCN(c2ccccc2Cl)CC1)c1ccccc1.
What is the InChIKey of (1R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenylethanol?
The InChIKey is PNWMQQKQDQGVLS-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21ClN2O/c19-16-8-4-5-9-17(16)21-12-10-20(11-13-21)14-18(22)15-6-2-1-3-7-15/h1-9,18,22H,10-14H2/t18-/m0/s1.
What are the key properties of (1R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenylethanol?
(1R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenylethanol has a molecular weight of 316.83 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenylethanol is sourced from PubChem (CID 2101809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).