3-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]pyridine

C19H24N2O — CID 2857335

IUPAC3-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]pyridine
SMILESCOc1ccc(CN2CCCCC2c2cccnc2)cc1C
InChIInChI=1S/C19H24N2O/c1-15-12-16(8-9-19(15)22-2)14-21-11-4-3-7-18(21)17-6-5-10-20-13-17/h5-6,8-10,12-13,18H,3-4,7,11,14H2,1-2H3
InChIKeyYUCKKKDGPHKCED-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.13
Rot. Bonds4

About 3-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]pyridine

3-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]pyridine (PubChem CID 2857335) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]pyridine
PubChem CID2857335
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name3-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]pyridine
SMILESCOc1ccc(CN2CCCCC2c2cccnc2)cc1C
InChIInChI=1S/C19H24N2O/c1-15-12-16(8-9-19(15)22-2)14-21-11-4-3-7-18(21)17-6-5-10-20-13-17/h5-6,8-10,12-13,18H,3-4,7,11,14H2,1-2H3
InChIKeyYUCKKKDGPHKCED-UHFFFAOYSA-N
XLogP4.13
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]pyridine?
The IUPAC name of 3-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]pyridine (CID 2857335) is 3-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]pyridine.
What is the SMILES notation for 3-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]pyridine?
The canonical SMILES for 3-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]pyridine is COc1ccc(CN2CCCCC2c2cccnc2)cc1C.
What is the InChIKey of 3-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]pyridine?
The InChIKey is YUCKKKDGPHKCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-15-12-16(8-9-19(15)22-2)14-21-11-4-3-7-18(21)17-6-5-10-20-13-17/h5-6,8-10,12-13,18H,3-4,7,11,14H2,1-2H3.
What are the key properties of 3-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]pyridine?
3-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]pyridine has a molecular weight of 296.41 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]pyridine is sourced from PubChem (CID 2857335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).