1-(4-chlorophenyl)-4-methoxy-3,6-dihydro-2H-pyridine

C12H14ClNO — CID 10704331

IUPAC1-(4-chlorophenyl)-4-methoxy-3,6-dihydro-2H-pyridine
SMILESCOC1=CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H14ClNO/c1-15-12-6-8-14(9-7-12)11-4-2-10(13)3-5-11/h2-6H,7-9H2,1H3
InChIKeyIFQDSFGEFWYRHD-UHFFFAOYSA-N
MW223.70 g/mol
LogP3.08
Rot. Bonds2

About 1-(4-chlorophenyl)-4-methoxy-3,6-dihydro-2H-pyridine

1-(4-chlorophenyl)-4-methoxy-3,6-dihydro-2H-pyridine (PubChem CID 10704331) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-methoxy-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-methoxy-3,6-dihydro-2H-pyridine
PubChem CID10704331
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name1-(4-chlorophenyl)-4-methoxy-3,6-dihydro-2H-pyridine
SMILESCOC1=CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H14ClNO/c1-15-12-6-8-14(9-7-12)11-4-2-10(13)3-5-11/h2-6H,7-9H2,1H3
InChIKeyIFQDSFGEFWYRHD-UHFFFAOYSA-N
XLogP3.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-methoxy-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(4-chlorophenyl)-4-methoxy-3,6-dihydro-2H-pyridine (CID 10704331) is 1-(4-chlorophenyl)-4-methoxy-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-methoxy-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(4-chlorophenyl)-4-methoxy-3,6-dihydro-2H-pyridine is COC1=CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-4-methoxy-3,6-dihydro-2H-pyridine?
The InChIKey is IFQDSFGEFWYRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-15-12-6-8-14(9-7-12)11-4-2-10(13)3-5-11/h2-6H,7-9H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-methoxy-3,6-dihydro-2H-pyridine?
1-(4-chlorophenyl)-4-methoxy-3,6-dihydro-2H-pyridine has a molecular weight of 223.70 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-methoxy-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 10704331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).