(1R)-1-[3-chloro-4-(2-ethylpiperidin-1-yl)phenyl]ethanol

C15H22ClNO — CID 55184827

IUPAC(1R)-1-[3-chloro-4-(2-ethylpiperidin-1-yl)phenyl]ethanol
SMILESCCC1CCCCN1c1ccc([C@@H](C)O)cc1Cl
InChIInChI=1S/C15H22ClNO/c1-3-13-6-4-5-9-17(13)15-8-7-12(11(2)18)10-14(15)16/h7-8,10-11,13,18H,3-6,9H2,1-2H3/t11-,13?/m1/s1
InChIKeyCVTBLRIQDQHWKL-JTDNENJMSA-N
MW267.80 g/mol
LogP4.16
Rot. Bonds3

About (1R)-1-[3-chloro-4-(2-ethylpiperidin-1-yl)phenyl]ethanol

(1R)-1-[3-chloro-4-(2-ethylpiperidin-1-yl)phenyl]ethanol (PubChem CID 55184827) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-(2-ethylpiperidin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-(2-ethylpiperidin-1-yl)phenyl]ethanol
PubChem CID55184827
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name(1R)-1-[3-chloro-4-(2-ethylpiperidin-1-yl)phenyl]ethanol
SMILESCCC1CCCCN1c1ccc([C@@H](C)O)cc1Cl
InChIInChI=1S/C15H22ClNO/c1-3-13-6-4-5-9-17(13)15-8-7-12(11(2)18)10-14(15)16/h7-8,10-11,13,18H,3-6,9H2,1-2H3/t11-,13?/m1/s1
InChIKeyCVTBLRIQDQHWKL-JTDNENJMSA-N
XLogP4.16
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 ≤ 54.16
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

1-[3-chloro-4-(2-ethylazepan-1-yl)phenyl]ethanol
CID 104690625
(1S)-1-[3-chloro-4-(2-ethylazepan-1-yl)phenyl]ethanamine
CID 104690209
1-[3-chloro-4-(2-ethylpiperidin-1-yl)phenyl]-N-ethylethanamine
CID 63533265
1-[3-chloro-4-(2-ethylazepan-1-yl)phenyl]-N-methylethanamine
CID 104690188
(1R)-1-[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]ethanol
CID 55183017
(1S)-1-[3-bromo-4-(2-ethylpyrrolidin-1-yl)phenyl]ethanol
CID 78939883
[1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]azepan-2-yl]methanol
CID 104891529
1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-2-carboxamide
CID 63371196
1-[3-bromo-4-(2-propylpiperidin-1-yl)phenyl]ethanol
CID 83056041
(1R)-1-[3-chloro-4-(3-ethylpiperidin-1-yl)phenyl]ethanol
CID 63370938
(1S)-1-[3-fluoro-4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol
CID 78939949
3-chloro-4-(2-ethylazepan-1-yl)benzaldehyde
CID 104690433

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-(2-ethylpiperidin-1-yl)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-chloro-4-(2-ethylpiperidin-1-yl)phenyl]ethanol (CID 55184827) is (1R)-1-[3-chloro-4-(2-ethylpiperidin-1-yl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-chloro-4-(2-ethylpiperidin-1-yl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-chloro-4-(2-ethylpiperidin-1-yl)phenyl]ethanol is CCC1CCCCN1c1ccc([C@@H](C)O)cc1Cl.
What is the InChIKey of (1R)-1-[3-chloro-4-(2-ethylpiperidin-1-yl)phenyl]ethanol?
The InChIKey is CVTBLRIQDQHWKL-JTDNENJMSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-3-13-6-4-5-9-17(13)15-8-7-12(11(2)18)10-14(15)16/h7-8,10-11,13,18H,3-6,9H2,1-2H3/t11-,13?/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-(2-ethylpiperidin-1-yl)phenyl]ethanol?
(1R)-1-[3-chloro-4-(2-ethylpiperidin-1-yl)phenyl]ethanol has a molecular weight of 267.80 g/mol, XLogP of 4.16, 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-(2-ethylpiperidin-1-yl)phenyl]ethanol is sourced from PubChem (CID 55184827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).