2-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-4-methoxypyridine

C18H21ClN2O — CID 135105893

IUPAC2-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-4-methoxypyridine
SMILESCOc1ccnc(CN2CCCC(c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C18H21ClN2O/c1-22-18-8-9-20-17(11-18)13-21-10-2-3-15(12-21)14-4-6-16(19)7-5-14/h4-9,11,15H,2-3,10,12-13H2,1H3
InChIKeyDURYEEYFQPEPAK-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.12
Rot. Bonds4

About 2-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-4-methoxypyridine

2-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-4-methoxypyridine (PubChem CID 135105893) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 2-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-4-methoxypyridine.

Molecular Properties

Compound Name2-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-4-methoxypyridine
PubChem CID135105893
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name2-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-4-methoxypyridine
SMILESCOc1ccnc(CN2CCCC(c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C18H21ClN2O/c1-22-18-8-9-20-17(11-18)13-21-10-2-3-15(12-21)14-4-6-16(19)7-5-14/h4-9,11,15H,2-3,10,12-13H2,1H3
InChIKeyDURYEEYFQPEPAK-UHFFFAOYSA-N
XLogP4.12
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-4-methoxypyridine?
The IUPAC name of 2-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-4-methoxypyridine (CID 135105893) is 2-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-4-methoxypyridine.
What is the SMILES notation for 2-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-4-methoxypyridine?
The canonical SMILES for 2-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-4-methoxypyridine is COc1ccnc(CN2CCCC(c3ccc(Cl)cc3)C2)c1.
What is the InChIKey of 2-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-4-methoxypyridine?
The InChIKey is DURYEEYFQPEPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-22-18-8-9-20-17(11-18)13-21-10-2-3-15(12-21)14-4-6-16(19)7-5-14/h4-9,11,15H,2-3,10,12-13H2,1H3.
What are the key properties of 2-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-4-methoxypyridine?
2-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-4-methoxypyridine has a molecular weight of 316.83 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-4-methoxypyridine is sourced from PubChem (CID 135105893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).