3-methyl-4-(4-phenylpiperidin-1-yl)pyridine

C17H20N2 — CID 137318862

IUPAC3-methyl-4-(4-phenylpiperidin-1-yl)pyridine
SMILESCc1cnccc1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H20N2/c1-14-13-18-10-7-17(14)19-11-8-16(9-12-19)15-5-3-2-4-6-15/h2-7,10,13,16H,8-9,11-12H2,1H3
InChIKeyMEWRNPWTTDXILQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.77
Rot. Bonds2

About 3-methyl-4-(4-phenylpiperidin-1-yl)pyridine

3-methyl-4-(4-phenylpiperidin-1-yl)pyridine (PubChem CID 137318862) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-methyl-4-(4-phenylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name3-methyl-4-(4-phenylpiperidin-1-yl)pyridine
PubChem CID137318862
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name3-methyl-4-(4-phenylpiperidin-1-yl)pyridine
SMILESCc1cnccc1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H20N2/c1-14-13-18-10-7-17(14)19-11-8-16(9-12-19)15-5-3-2-4-6-15/h2-7,10,13,16H,8-9,11-12H2,1H3
InChIKeyMEWRNPWTTDXILQ-UHFFFAOYSA-N
XLogP3.77
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-phenylpiperidin-1-yl)pyridine?
The IUPAC name of 3-methyl-4-(4-phenylpiperidin-1-yl)pyridine (CID 137318862) is 3-methyl-4-(4-phenylpiperidin-1-yl)pyridine.
What is the SMILES notation for 3-methyl-4-(4-phenylpiperidin-1-yl)pyridine?
The canonical SMILES for 3-methyl-4-(4-phenylpiperidin-1-yl)pyridine is Cc1cnccc1N1CCC(c2ccccc2)CC1.
What is the InChIKey of 3-methyl-4-(4-phenylpiperidin-1-yl)pyridine?
The InChIKey is MEWRNPWTTDXILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-14-13-18-10-7-17(14)19-11-8-16(9-12-19)15-5-3-2-4-6-15/h2-7,10,13,16H,8-9,11-12H2,1H3.
What are the key properties of 3-methyl-4-(4-phenylpiperidin-1-yl)pyridine?
3-methyl-4-(4-phenylpiperidin-1-yl)pyridine has a molecular weight of 252.36 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-phenylpiperidin-1-yl)pyridine is sourced from PubChem (CID 137318862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).