(1S)-1-(2-chlorophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanol

C17H25ClN2O — CID 100836996

IUPAC(1S)-1-(2-chlorophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanol
SMILESO[C@H](CN1CCC[C@@H](N2CCCC2)C1)c1ccccc1Cl
InChIInChI=1S/C17H25ClN2O/c18-16-8-2-1-7-15(16)17(21)13-19-9-5-6-14(12-19)20-10-3-4-11-20/h1-2,7-8,14,17,21H,3-6,9-13H2/t14-,17-/m1/s1
InChIKeyARXRLDAKICEJLT-RHSMWYFYSA-N
MW308.85 g/mol
LogP2.93
Rot. Bonds4

About (1S)-1-(2-chlorophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanol

(1S)-1-(2-chlorophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanol (PubChem CID 100836996) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is (1S)-1-(2-chlorophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-(2-chlorophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanol
PubChem CID100836996
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name(1S)-1-(2-chlorophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanol
SMILESO[C@H](CN1CCC[C@@H](N2CCCC2)C1)c1ccccc1Cl
InChIInChI=1S/C17H25ClN2O/c18-16-8-2-1-7-15(16)17(21)13-19-9-5-6-14(12-19)20-10-3-4-11-20/h1-2,7-8,14,17,21H,3-6,9-13H2/t14-,17-/m1/s1
InChIKeyARXRLDAKICEJLT-RHSMWYFYSA-N
XLogP2.93
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 110898564
1-(2-chlorophenyl)-2-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanol
CID 111488895
1-(2-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
CID 63165717
1-(2-chlorophenyl)-2-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanol
CID 111512129
1-(2-chlorophenyl)-3-(4-cyclopropylpiperazin-1-yl)propan-1-ol
CID 62630518
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propylpiperidine-3-carboxamide
CID 49440645
(1R)-1-(2-chlorophenyl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanol
CID 97069134
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CID 124738363
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CID 63150644
(2S)-1-[(2R)-4-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124780336
1-[3-(azepan-1-yl)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 111108788
1-(4-aminophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
CID 63171581

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chlorophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanol?
The IUPAC name of (1S)-1-(2-chlorophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanol (CID 100836996) is (1S)-1-(2-chlorophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanol.
What is the SMILES notation for (1S)-1-(2-chlorophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanol?
The canonical SMILES for (1S)-1-(2-chlorophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanol is O[C@H](CN1CCC[C@@H](N2CCCC2)C1)c1ccccc1Cl.
What is the InChIKey of (1S)-1-(2-chlorophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanol?
The InChIKey is ARXRLDAKICEJLT-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c18-16-8-2-1-7-15(16)17(21)13-19-9-5-6-14(12-19)20-10-3-4-11-20/h1-2,7-8,14,17,21H,3-6,9-13H2/t14-,17-/m1/s1.
What are the key properties of (1S)-1-(2-chlorophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanol?
(1S)-1-(2-chlorophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanol has a molecular weight of 308.85 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-chlorophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanol is sourced from PubChem (CID 100836996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).