3-(piperidin-2-ylmethyl)-4-propan-2-ylpyridine

C14H22N2 — CID 115009220

IUPAC3-(piperidin-2-ylmethyl)-4-propan-2-ylpyridine
SMILESCC(C)c1ccncc1CC1CCCCN1
InChIInChI=1S/C14H22N2/c1-11(2)14-6-8-15-10-12(14)9-13-5-3-4-7-16-13/h6,8,10-11,13,16H,3-5,7,9H2,1-2H3
InChIKeyBVVLNFRNRHNXIV-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.89
Rot. Bonds3

About 3-(piperidin-2-ylmethyl)-4-propan-2-ylpyridine

3-(piperidin-2-ylmethyl)-4-propan-2-ylpyridine (PubChem CID 115009220) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-(piperidin-2-ylmethyl)-4-propan-2-ylpyridine.

Molecular Properties

Compound Name3-(piperidin-2-ylmethyl)-4-propan-2-ylpyridine
PubChem CID115009220
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3-(piperidin-2-ylmethyl)-4-propan-2-ylpyridine
SMILESCC(C)c1ccncc1CC1CCCCN1
InChIInChI=1S/C14H22N2/c1-11(2)14-6-8-15-10-12(14)9-13-5-3-4-7-16-13/h6,8,10-11,13,16H,3-5,7,9H2,1-2H3
InChIKeyBVVLNFRNRHNXIV-UHFFFAOYSA-N
XLogP2.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(piperidin-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 84698905
2-(piperidin-2-ylmethyl)-3,6-di(propan-2-yl)phenol
CID 117441122
N-[(4-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106621945
N-methyl-N-(piperidin-2-ylmethyl)-1-pyridin-4-ylethanamine
CID 106623108
N-[(4-methyl-3-pyridinyl)methyl]-1-piperidin-2-ylmethanamine
CID 106634516
2-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine
CID 82495630
4-chloro-2-(piperidin-2-ylmethyl)-5-propan-2-ylphenol
CID 117423339
N-(piperidin-2-ylmethyl)-N-(1-pyridin-4-ylethyl)propan-2-amine
CID 106622229
2-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]piperidine
CID 117452803
5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 78969916
1-[2-(pyrrolidin-2-ylmethyl)phenyl]ethanol
CID 117118193
2-[(2-pentan-3-ylphenyl)methyl]piperidine
CID 117366332

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-2-ylmethyl)-4-propan-2-ylpyridine?
The IUPAC name of 3-(piperidin-2-ylmethyl)-4-propan-2-ylpyridine (CID 115009220) is 3-(piperidin-2-ylmethyl)-4-propan-2-ylpyridine.
What is the SMILES notation for 3-(piperidin-2-ylmethyl)-4-propan-2-ylpyridine?
The canonical SMILES for 3-(piperidin-2-ylmethyl)-4-propan-2-ylpyridine is CC(C)c1ccncc1CC1CCCCN1.
What is the InChIKey of 3-(piperidin-2-ylmethyl)-4-propan-2-ylpyridine?
The InChIKey is BVVLNFRNRHNXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11(2)14-6-8-15-10-12(14)9-13-5-3-4-7-16-13/h6,8,10-11,13,16H,3-5,7,9H2,1-2H3.
What are the key properties of 3-(piperidin-2-ylmethyl)-4-propan-2-ylpyridine?
3-(piperidin-2-ylmethyl)-4-propan-2-ylpyridine has a molecular weight of 218.34 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-2-ylmethyl)-4-propan-2-ylpyridine is sourced from PubChem (CID 115009220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).