(1R)-1-[3-chloro-4-(3-ethylpiperidin-1-yl)phenyl]ethanol

C15H22ClNO — CID 63370938

IUPAC(1R)-1-[3-chloro-4-(3-ethylpiperidin-1-yl)phenyl]ethanol
SMILESCCC1CCCN(c2ccc([C@@H](C)O)cc2Cl)C1
InChIInChI=1S/C15H22ClNO/c1-3-12-5-4-8-17(10-12)15-7-6-13(11(2)18)9-14(15)16/h6-7,9,11-12,18H,3-5,8,10H2,1-2H3/t11-,12?/m1/s1
InChIKeyHREMMRZTWWYBJX-JHJMLUEUSA-N
MW267.80 g/mol
LogP4.02
Rot. Bonds3

About (1R)-1-[3-chloro-4-(3-ethylpiperidin-1-yl)phenyl]ethanol

(1R)-1-[3-chloro-4-(3-ethylpiperidin-1-yl)phenyl]ethanol (PubChem CID 63370938) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-(3-ethylpiperidin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-(3-ethylpiperidin-1-yl)phenyl]ethanol
PubChem CID63370938
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name(1R)-1-[3-chloro-4-(3-ethylpiperidin-1-yl)phenyl]ethanol
SMILESCCC1CCCN(c2ccc([C@@H](C)O)cc2Cl)C1
InChIInChI=1S/C15H22ClNO/c1-3-12-5-4-8-17(10-12)15-7-6-13(11(2)18)9-14(15)16/h6-7,9,11-12,18H,3-5,8,10H2,1-2H3/t11-,12?/m1/s1
InChIKeyHREMMRZTWWYBJX-JHJMLUEUSA-N
XLogP4.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[3-chloro-4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]ethanol
CID 107227965
1-[3-chloro-4-(3-ethoxypiperidin-1-yl)phenyl]ethanol
CID 62910229
(1R)-1-[3-chloro-4-[3-(dimethylamino)piperidin-1-yl]phenyl]ethanol
CID 79026265
1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 103942850
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-(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
(1R)-1-[3-chloro-4-(2-ethylpiperidin-1-yl)phenyl]ethanol
CID 55184827
1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol
CID 62909724

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-(3-ethylpiperidin-1-yl)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-chloro-4-(3-ethylpiperidin-1-yl)phenyl]ethanol (CID 63370938) is (1R)-1-[3-chloro-4-(3-ethylpiperidin-1-yl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-chloro-4-(3-ethylpiperidin-1-yl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-chloro-4-(3-ethylpiperidin-1-yl)phenyl]ethanol is CCC1CCCN(c2ccc([C@@H](C)O)cc2Cl)C1.
What is the InChIKey of (1R)-1-[3-chloro-4-(3-ethylpiperidin-1-yl)phenyl]ethanol?
The InChIKey is HREMMRZTWWYBJX-JHJMLUEUSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-3-12-5-4-8-17(10-12)15-7-6-13(11(2)18)9-14(15)16/h6-7,9,11-12,18H,3-5,8,10H2,1-2H3/t11-,12?/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-(3-ethylpiperidin-1-yl)phenyl]ethanol?
(1R)-1-[3-chloro-4-(3-ethylpiperidin-1-yl)phenyl]ethanol has a molecular weight of 267.80 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-chloro-4-(3-ethylpiperidin-1-yl)phenyl]ethanol is sourced from PubChem (CID 63370938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).