(S)-(4-chlorophenyl)-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanol

C17H24ClNO — CID 125467337

IUPAC(S)-(4-chlorophenyl)-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanol
SMILESO[C@H](c1ccc(Cl)cc1)[C@@H]1CCCC[C@H]1N1CCCC1
InChIInChI=1S/C17H24ClNO/c18-14-9-7-13(8-10-14)17(20)15-5-1-2-6-16(15)19-11-3-4-12-19/h7-10,15-17,20H,1-6,11-12H2/t15-,16-,17-/m1/s1
InChIKeyNXQJCDRPFGDPEA-BRWVUGGUSA-N
MW293.84 g/mol
LogP4.03
Rot. Bonds3

About (S)-(4-chlorophenyl)-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanol

(S)-(4-chlorophenyl)-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanol (PubChem CID 125467337) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is (S)-(4-chlorophenyl)-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanol.

Molecular Properties

Compound Name(S)-(4-chlorophenyl)-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanol
PubChem CID125467337
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name(S)-(4-chlorophenyl)-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanol
SMILESO[C@H](c1ccc(Cl)cc1)[C@@H]1CCCC[C@H]1N1CCCC1
InChIInChI=1S/C17H24ClNO/c18-14-9-7-13(8-10-14)17(20)15-5-1-2-6-16(15)19-11-3-4-12-19/h7-10,15-17,20H,1-6,11-12H2/t15-,16-,17-/m1/s1
InChIKeyNXQJCDRPFGDPEA-BRWVUGGUSA-N
XLogP4.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(4-chlorophenyl)-[(1R,2R)-2-morpholin-4-ylcyclohexyl]methanol
CID 125467242
2-[(4-chlorophenyl)-hydroxymethyl]cyclopentane-1-carboxylic acid
CID 103979671
(4-chlorophenyl)-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]methanone
CID 125473639
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-cyclopropylmethanone
CID 111112276
1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-cyclopentylethanone
CID 111112309
N-[(4-chlorophenyl)-cyclopropylmethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43792606
cis-(1S,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 23656399
azepan-4-yl-(4-chlorophenyl)methanol
CID 84701681
1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol
CID 60724687
(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171161173
1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)ethanamine
CID 83906718
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694247

Frequently Asked Questions

What is the IUPAC name of (S)-(4-chlorophenyl)-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanol?
The IUPAC name of (S)-(4-chlorophenyl)-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanol (CID 125467337) is (S)-(4-chlorophenyl)-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanol.
What is the SMILES notation for (S)-(4-chlorophenyl)-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanol?
The canonical SMILES for (S)-(4-chlorophenyl)-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanol is O[C@H](c1ccc(Cl)cc1)[C@@H]1CCCC[C@H]1N1CCCC1.
What is the InChIKey of (S)-(4-chlorophenyl)-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanol?
The InChIKey is NXQJCDRPFGDPEA-BRWVUGGUSA-N. The full InChI is InChI=1S/C17H24ClNO/c18-14-9-7-13(8-10-14)17(20)15-5-1-2-6-16(15)19-11-3-4-12-19/h7-10,15-17,20H,1-6,11-12H2/t15-,16-,17-/m1/s1.
What are the key properties of (S)-(4-chlorophenyl)-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanol?
(S)-(4-chlorophenyl)-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanol has a molecular weight of 293.84 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-chlorophenyl)-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanol is sourced from PubChem (CID 125467337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).