5-(1-benzylpiperidin-2-yl)-2-piperidin-1-ylpyridine

C22H29N3 — CID 102541519

IUPAC5-(1-benzylpiperidin-2-yl)-2-piperidin-1-ylpyridine
SMILESc1ccc(CN2CCCCC2c2ccc(N3CCCCC3)nc2)cc1
InChIInChI=1S/C22H29N3/c1-3-9-19(10-4-1)18-25-16-8-5-11-21(25)20-12-13-22(23-17-20)24-14-6-2-7-15-24/h1,3-4,9-10,12-13,17,21H,2,5-8,11,14-16,18H2
InChIKeyLMKHHBZXGSURIQ-UHFFFAOYSA-N
MW335.50 g/mol
LogP4.80
Rot. Bonds4

About 5-(1-benzylpiperidin-2-yl)-2-piperidin-1-ylpyridine

5-(1-benzylpiperidin-2-yl)-2-piperidin-1-ylpyridine (PubChem CID 102541519) has the molecular formula C22H29N3 and a molecular weight of 335.50 g/mol. Its IUPAC name is 5-(1-benzylpiperidin-2-yl)-2-piperidin-1-ylpyridine.

Molecular Properties

Compound Name5-(1-benzylpiperidin-2-yl)-2-piperidin-1-ylpyridine
PubChem CID102541519
Molecular FormulaC22H29N3
Molecular Weight335.50 g/mol
Exact Mass335.24
IUPAC Name5-(1-benzylpiperidin-2-yl)-2-piperidin-1-ylpyridine
SMILESc1ccc(CN2CCCCC2c2ccc(N3CCCCC3)nc2)cc1
InChIInChI=1S/C22H29N3/c1-3-9-19(10-4-1)18-25-16-8-5-11-21(25)20-12-13-22(23-17-20)24-14-6-2-7-15-24/h1,3-4,9-10,12-13,17,21H,2,5-8,11,14-16,18H2
InChIKeyLMKHHBZXGSURIQ-UHFFFAOYSA-N
XLogP4.80
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-benzylpiperidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine
CID 102542992
5-(1-benzylpyrrolidin-2-yl)-2-bromopyridine
CID 102539234
5-(1-benzylpyrrolidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine
CID 102542973
4-[5-(1-benzylpiperidin-2-yl)-4-methyl-2-pyridinyl]morpholine
CID 102543280
(2R)-1-benzyl-2-thiophen-3-ylpiperidine
CID 124500980
4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine
CID 95839904
5-(1-benzylpyrrolidin-2-yl)-N,N,3-trimethylpyridin-2-amine
CID 102542845
4-(1-benzylpyrrolidin-2-yl)benzonitrile
CID 164673724
4-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyridine
CID 124500070
2-(1-benzylpiperidin-2-yl)-3-methylpyridine
CID 102539039
3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine
CID 872932
1-[3-(1-benzylpiperidin-2-yl)-2-pyridinyl]piperazine
CID 102541676

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpiperidin-2-yl)-2-piperidin-1-ylpyridine?
The IUPAC name of 5-(1-benzylpiperidin-2-yl)-2-piperidin-1-ylpyridine (CID 102541519) is 5-(1-benzylpiperidin-2-yl)-2-piperidin-1-ylpyridine.
What is the SMILES notation for 5-(1-benzylpiperidin-2-yl)-2-piperidin-1-ylpyridine?
The canonical SMILES for 5-(1-benzylpiperidin-2-yl)-2-piperidin-1-ylpyridine is c1ccc(CN2CCCCC2c2ccc(N3CCCCC3)nc2)cc1.
What is the InChIKey of 5-(1-benzylpiperidin-2-yl)-2-piperidin-1-ylpyridine?
The InChIKey is LMKHHBZXGSURIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3/c1-3-9-19(10-4-1)18-25-16-8-5-11-21(25)20-12-13-22(23-17-20)24-14-6-2-7-15-24/h1,3-4,9-10,12-13,17,21H,2,5-8,11,14-16,18H2.
What are the key properties of 5-(1-benzylpiperidin-2-yl)-2-piperidin-1-ylpyridine?
5-(1-benzylpiperidin-2-yl)-2-piperidin-1-ylpyridine has a molecular weight of 335.50 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylpiperidin-2-yl)-2-piperidin-1-ylpyridine is sourced from PubChem (CID 102541519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).