2-[(4-chlorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine

C18H21ClN2O — CID 25263330

IUPAC2-[(4-chlorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine
SMILESCc1c(C2CCNCC2)ccnc1OCc1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O/c1-13-17(15-6-9-20-10-7-15)8-11-21-18(13)22-12-14-2-4-16(19)5-3-14/h2-5,8,11,15,20H,6-7,9-10,12H2,1H3
InChIKeyVWUKKSQMCHCZKA-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.09
Rot. Bonds4

About 2-[(4-chlorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine

2-[(4-chlorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine (PubChem CID 25263330) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine
PubChem CID25263330
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name2-[(4-chlorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine
SMILESCc1c(C2CCNCC2)ccnc1OCc1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O/c1-13-17(15-6-9-20-10-7-15)8-11-21-18(13)22-12-14-2-4-16(19)5-3-14/h2-5,8,11,15,20H,6-7,9-10,12H2,1H3
InChIKeyVWUKKSQMCHCZKA-UHFFFAOYSA-N
XLogP4.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine (CID 25263330) is 2-[(4-chlorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine is Cc1c(C2CCNCC2)ccnc1OCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine?
The InChIKey is VWUKKSQMCHCZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-13-17(15-6-9-20-10-7-15)8-11-21-18(13)22-12-14-2-4-16(19)5-3-14/h2-5,8,11,15,20H,6-7,9-10,12H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine?
2-[(4-chlorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine has a molecular weight of 316.83 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine is sourced from PubChem (CID 25263330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).