2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine

C17H21N3 — CID 95844895

IUPAC2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine
SMILESc1ccc(C[C@H]2CCCN(Cc3ccccn3)C2)nc1
InChIInChI=1S/C17H21N3/c1-3-9-18-16(7-1)12-15-6-5-11-20(13-15)14-17-8-2-4-10-19-17/h1-4,7-10,15H,5-6,11-14H2/t15-/m1/s1
InChIKeyHFKUFNWLCYAPIN-OAHLLOKOSA-N
MW267.38 g/mol
LogP2.93
Rot. Bonds4

About 2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine

2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine (PubChem CID 95844895) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine
PubChem CID95844895
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine
SMILESc1ccc(C[C@H]2CCCN(Cc3ccccn3)C2)nc1
InChIInChI=1S/C17H21N3/c1-3-9-18-16(7-1)12-15-6-5-11-20(13-15)14-17-8-2-4-10-19-17/h1-4,7-10,15H,5-6,11-14H2/t15-/m1/s1
InChIKeyHFKUFNWLCYAPIN-OAHLLOKOSA-N
XLogP2.93
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol;hydrochloride
CID 167311617
(3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine
CID 39221497
2-[(3-chloropiperidin-1-yl)methyl]pyridine
CID 63386992
2-[2-[[3-(pyridin-2-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 132770437
2-[[(3S)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyridine
CID 124973199
2-[[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]pyridine
CID 95317619
[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 71644926
N-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]propane-1-sulfonamide
CID 95211899
2-(cyclohexylmethyl)pyridine
CID 14762660
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine
CID 95632872
2-[(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)methyl]pyridine
CID 110096214

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine?
The IUPAC name of 2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine (CID 95844895) is 2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine.
What is the SMILES notation for 2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine?
The canonical SMILES for 2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine is c1ccc(C[C@H]2CCCN(Cc3ccccn3)C2)nc1.
What is the InChIKey of 2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine?
The InChIKey is HFKUFNWLCYAPIN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N3/c1-3-9-18-16(7-1)12-15-6-5-11-20(13-15)14-17-8-2-4-10-19-17/h1-4,7-10,15H,5-6,11-14H2/t15-/m1/s1.
What are the key properties of 2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine?
2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine has a molecular weight of 267.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine is sourced from PubChem (CID 95844895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).