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

C15H22ClNO2 — CID 62910229

IUPAC1-[3-chloro-4-(3-ethoxypiperidin-1-yl)phenyl]ethanol
SMILESCCOC1CCCN(c2ccc(C(C)O)cc2Cl)C1
InChIInChI=1S/C15H22ClNO2/c1-3-19-13-5-4-8-17(10-13)15-7-6-12(11(2)18)9-14(15)16/h6-7,9,11,13,18H,3-5,8,10H2,1-2H3
InChIKeyQPHZJEUABDGNPT-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.40
Rot. Bonds4

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

1-[3-chloro-4-(3-ethoxypiperidin-1-yl)phenyl]ethanol (PubChem CID 62910229) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-[3-chloro-4-(3-ethoxypiperidin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-chloro-4-(3-ethoxypiperidin-1-yl)phenyl]ethanol
PubChem CID62910229
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name1-[3-chloro-4-(3-ethoxypiperidin-1-yl)phenyl]ethanol
SMILESCCOC1CCCN(c2ccc(C(C)O)cc2Cl)C1
InChIInChI=1S/C15H22ClNO2/c1-3-19-13-5-4-8-17(10-13)15-7-6-12(11(2)18)9-14(15)16/h6-7,9,11,13,18H,3-5,8,10H2,1-2H3
InChIKeyQPHZJEUABDGNPT-UHFFFAOYSA-N
XLogP3.40
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.40
H-Bond Donors ≤ 51
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
1-[3-bromo-4-(3-propoxypiperidin-1-yl)phenyl]ethanol
CID 62910076
(1R)-1-[3-chloro-4-[3-(dimethylamino)piperidin-1-yl]phenyl]ethanol
CID 79026265
(1S)-1-[3-chloro-4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]ethanol
CID 107227965
(1R)-1-[2-(3-ethoxypiperidin-1-yl)phenyl]ethanol
CID 55183213
1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 103942850
N-[[3-chloro-4-(3-ethoxypiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 81143390
1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]-N-methylpiperidine-3-carboxamide
CID 103196759
N-[[3-chloro-4-(3-ethoxypiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 81143389
(1R)-1-[3-chloro-4-(4-methoxypiperidin-1-yl)phenyl]ethanol
CID 63370825
(1S)-1-[3-chloro-4-(4-ethoxypiperidin-1-yl)phenyl]ethanamine
CID 78934855
1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol
CID 106836509

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(3-ethoxypiperidin-1-yl)phenyl]ethanol?
The IUPAC name of 1-[3-chloro-4-(3-ethoxypiperidin-1-yl)phenyl]ethanol (CID 62910229) is 1-[3-chloro-4-(3-ethoxypiperidin-1-yl)phenyl]ethanol.
What is the SMILES notation for 1-[3-chloro-4-(3-ethoxypiperidin-1-yl)phenyl]ethanol?
The canonical SMILES for 1-[3-chloro-4-(3-ethoxypiperidin-1-yl)phenyl]ethanol is CCOC1CCCN(c2ccc(C(C)O)cc2Cl)C1.
What is the InChIKey of 1-[3-chloro-4-(3-ethoxypiperidin-1-yl)phenyl]ethanol?
The InChIKey is QPHZJEUABDGNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-3-19-13-5-4-8-17(10-13)15-7-6-12(11(2)18)9-14(15)16/h6-7,9,11,13,18H,3-5,8,10H2,1-2H3.
What are the key properties of 1-[3-chloro-4-(3-ethoxypiperidin-1-yl)phenyl]ethanol?
1-[3-chloro-4-(3-ethoxypiperidin-1-yl)phenyl]ethanol has a molecular weight of 283.80 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(3-ethoxypiperidin-1-yl)phenyl]ethanol is sourced from PubChem (CID 62910229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).