(1S)-1-[3-chloro-4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]ethanol

C15H22ClNO2 — CID 107227965

IUPAC(1S)-1-[3-chloro-4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]ethanol
SMILESC[C@H](O)c1ccc(N2CCCC(CCO)C2)c(Cl)c1
InChIInChI=1S/C15H22ClNO2/c1-11(19)13-4-5-15(14(16)9-13)17-7-2-3-12(10-17)6-8-18/h4-5,9,11-12,18-19H,2-3,6-8,10H2,1H3/t11-,12?/m0/s1
InChIKeyQIYSGPSHGNMZJG-PXYINDEMSA-N
MW283.80 g/mol
LogP2.99
Rot. Bonds4

About (1S)-1-[3-chloro-4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]ethanol

(1S)-1-[3-chloro-4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]ethanol (PubChem CID 107227965) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is (1S)-1-[3-chloro-4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-chloro-4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]ethanol
PubChem CID107227965
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name(1S)-1-[3-chloro-4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]ethanol
SMILESC[C@H](O)c1ccc(N2CCCC(CCO)C2)c(Cl)c1
InChIInChI=1S/C15H22ClNO2/c1-11(19)13-4-5-15(14(16)9-13)17-7-2-3-12(10-17)6-8-18/h4-5,9,11-12,18-19H,2-3,6-8,10H2,1H3/t11-,12?/m0/s1
InChIKeyQIYSGPSHGNMZJG-PXYINDEMSA-N
XLogP2.99
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[3-chloro-4-(3-ethylpiperidin-1-yl)phenyl]ethanol
CID 63370938
(1R)-1-[3-chloro-4-[3-(dimethylamino)piperidin-1-yl]phenyl]ethanol
CID 79026265
1-[5-fluoro-2-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]ethanol
CID 107227955
1-[3-chloro-4-(3-ethoxypiperidin-1-yl)phenyl]ethanol
CID 62910229
1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]-N-methylpiperidine-3-carboxamide
CID 103196759
(1R)-1-[3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]ethanol
CID 63371203
(1S)-1-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-chlorophenyl]ethanol
CID 79935263
1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 103942850
1-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanol
CID 62908356
1-[1-[2-chloro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]ethanol
CID 106836525
1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol
CID 106836509
(1R)-1-[4-(4-tert-butylazepan-1-yl)-3-chlorophenyl]ethanol
CID 78992789

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-chloro-4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]ethanol?
The IUPAC name of (1S)-1-[3-chloro-4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]ethanol (CID 107227965) is (1S)-1-[3-chloro-4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-chloro-4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-chloro-4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]ethanol is C[C@H](O)c1ccc(N2CCCC(CCO)C2)c(Cl)c1.
What is the InChIKey of (1S)-1-[3-chloro-4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]ethanol?
The InChIKey is QIYSGPSHGNMZJG-PXYINDEMSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-11(19)13-4-5-15(14(16)9-13)17-7-2-3-12(10-17)6-8-18/h4-5,9,11-12,18-19H,2-3,6-8,10H2,1H3/t11-,12?/m0/s1.
What are the key properties of (1S)-1-[3-chloro-4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]ethanol?
(1S)-1-[3-chloro-4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]ethanol has a molecular weight of 283.80 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-chloro-4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]ethanol is sourced from PubChem (CID 107227965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).