1-(4-chlorophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol

C14H18ClNO — CID 13282074

IUPAC1-(4-chlorophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol
SMILESCC1=CCN(CC(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H18ClNO/c1-11-6-8-16(9-7-11)10-14(17)12-2-4-13(15)5-3-12/h2-6,14,17H,7-10H2,1H3
InChIKeyUAXAEIHBHSGPQX-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.03
Rot. Bonds3

About 1-(4-chlorophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol

1-(4-chlorophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol (PubChem CID 13282074) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol
PubChem CID13282074
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name1-(4-chlorophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol
SMILESCC1=CCN(CC(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H18ClNO/c1-11-6-8-16(9-7-11)10-14(17)12-2-4-13(15)5-3-12/h2-6,14,17H,7-10H2,1H3
InChIKeyUAXAEIHBHSGPQX-UHFFFAOYSA-N
XLogP3.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Tulobuterol Hydrochloride
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Benzenemethanol, alpha-(1-(dimethylamino)ethyl)-, hydrochloride, (R*,S*)-(+-)-
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Etafedrine
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Cinnamedrine
CID 5370611
rel-(alphaR)-3-Chloro-alpha-((1R)-1-((1,1-dimethylethyl)amino)ethyl)benzenemethanol
CID 9834682

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol (CID 13282074) is 1-(4-chlorophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol is CC1=CCN(CC(O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol?
The InChIKey is UAXAEIHBHSGPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-11-6-8-16(9-7-11)10-14(17)12-2-4-13(15)5-3-12/h2-6,14,17H,7-10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol?
1-(4-chlorophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol has a molecular weight of 251.76 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol is sourced from PubChem (CID 13282074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).