4-phenyl-3-(piperidin-4-ylmethyl)pyridine

C17H20N2 — CID 115009267

IUPAC4-phenyl-3-(piperidin-4-ylmethyl)pyridine
SMILESc1ccc(-c2ccncc2CC2CCNCC2)cc1
InChIInChI=1S/C17H20N2/c1-2-4-15(5-3-1)17-8-11-19-13-16(17)12-14-6-9-18-10-7-14/h1-5,8,11,13-14,18H,6-7,9-10,12H2
InChIKeyJCBINZONBRJUBA-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.29
Rot. Bonds3

About 4-phenyl-3-(piperidin-4-ylmethyl)pyridine

4-phenyl-3-(piperidin-4-ylmethyl)pyridine (PubChem CID 115009267) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-phenyl-3-(piperidin-4-ylmethyl)pyridine.

Molecular Properties

Compound Name4-phenyl-3-(piperidin-4-ylmethyl)pyridine
PubChem CID115009267
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name4-phenyl-3-(piperidin-4-ylmethyl)pyridine
SMILESc1ccc(-c2ccncc2CC2CCNCC2)cc1
InChIInChI=1S/C17H20N2/c1-2-4-15(5-3-1)17-8-11-19-13-16(17)12-14-6-9-18-10-7-14/h1-5,8,11,13-14,18H,6-7,9-10,12H2
InChIKeyJCBINZONBRJUBA-UHFFFAOYSA-N
XLogP3.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(chloromethyl)-4-phenylpyridine
CID 130967396
N-[(2-phenylphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 155181758
1-piperidin-4-yl-2-(2-pyridin-3-ylphenyl)ethanone
CID 22248581
1-methyl-3-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridine
CID 84692955
[2-(piperidin-4-ylmethyl)phenyl]methanamine
CID 105456757
3-phenyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 71261689
4-phenyl-3-piperidin-2-ylpyridine
CID 115009262
4-[2-(piperidin-4-ylmethyl)phenyl]piperidine
CID 117399981
4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
CID 46172843
4-phenyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole
CID 115036269
4-phenyl-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole
CID 115036737
(4S)-4-[(3-phenylpyrazin-2-yl)methyl]azepane
CID 95844340

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-(piperidin-4-ylmethyl)pyridine?
The IUPAC name of 4-phenyl-3-(piperidin-4-ylmethyl)pyridine (CID 115009267) is 4-phenyl-3-(piperidin-4-ylmethyl)pyridine.
What is the SMILES notation for 4-phenyl-3-(piperidin-4-ylmethyl)pyridine?
The canonical SMILES for 4-phenyl-3-(piperidin-4-ylmethyl)pyridine is c1ccc(-c2ccncc2CC2CCNCC2)cc1.
What is the InChIKey of 4-phenyl-3-(piperidin-4-ylmethyl)pyridine?
The InChIKey is JCBINZONBRJUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-2-4-15(5-3-1)17-8-11-19-13-16(17)12-14-6-9-18-10-7-14/h1-5,8,11,13-14,18H,6-7,9-10,12H2.
What are the key properties of 4-phenyl-3-(piperidin-4-ylmethyl)pyridine?
4-phenyl-3-(piperidin-4-ylmethyl)pyridine has a molecular weight of 252.36 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-(piperidin-4-ylmethyl)pyridine is sourced from PubChem (CID 115009267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).