2-benzyl-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine

C23H25N3 — CID 95809192

IUPAC2-benzyl-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine
SMILESc1ccc(Cc2cccc(C3CCN(Cc4cccnc4)CC3)n2)cc1
InChIInChI=1S/C23H25N3/c1-2-6-19(7-3-1)16-22-9-4-10-23(25-22)21-11-14-26(15-12-21)18-20-8-5-13-24-17-20/h1-10,13,17,21H,11-12,14-16,18H2
InChIKeyNAAGFTREQCSCGT-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.45
Rot. Bonds5

About 2-benzyl-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine

2-benzyl-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine (PubChem CID 95809192) has the molecular formula C23H25N3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-benzyl-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine.

Molecular Properties

Compound Name2-benzyl-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine
PubChem CID95809192
Molecular FormulaC23H25N3
Molecular Weight343.47 g/mol
Exact Mass343.20
IUPAC Name2-benzyl-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine
SMILESc1ccc(Cc2cccc(C3CCN(Cc4cccnc4)CC3)n2)cc1
InChIInChI=1S/C23H25N3/c1-2-6-19(7-3-1)16-22-9-4-10-23(25-22)21-11-14-26(15-12-21)18-20-8-5-13-24-17-20/h1-10,13,17,21H,11-12,14-16,18H2
InChIKeyNAAGFTREQCSCGT-UHFFFAOYSA-N
XLogP4.45
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluorophenyl)methyl]-6-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 95809203
2-[(4-fluorophenyl)methyl]-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridine
CID 95809288
2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 95809205
[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95809449
2-benzyl-6-(1-methylsulfonylpiperidin-4-yl)pyridine
CID 95817967
2-[(4-methylphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817914
2-[(2-methoxyphenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine
CID 95809169
2-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N,N-diethylacetamide
CID 95809099
3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
CID 16674606
(2R)-4-(pyridin-3-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine
CID 125008958
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
2-[(2-methylphenyl)methyl]-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridine
CID 95809282

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine?
The IUPAC name of 2-benzyl-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine (CID 95809192) is 2-benzyl-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine.
What is the SMILES notation for 2-benzyl-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine?
The canonical SMILES for 2-benzyl-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine is c1ccc(Cc2cccc(C3CCN(Cc4cccnc4)CC3)n2)cc1.
What is the InChIKey of 2-benzyl-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine?
The InChIKey is NAAGFTREQCSCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3/c1-2-6-19(7-3-1)16-22-9-4-10-23(25-22)21-11-14-26(15-12-21)18-20-8-5-13-24-17-20/h1-10,13,17,21H,11-12,14-16,18H2.
What are the key properties of 2-benzyl-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine?
2-benzyl-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine has a molecular weight of 343.47 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine is sourced from PubChem (CID 95809192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).