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

C14H22N2 — CID 115009336

IUPAC2-(piperidin-3-ylmethyl)-4-propan-2-ylpyridine
SMILESCC(C)c1ccnc(CC2CCCNC2)c1
InChIInChI=1S/C14H22N2/c1-11(2)13-5-7-16-14(9-13)8-12-4-3-6-15-10-12/h5,7,9,11-12,15H,3-4,6,8,10H2,1-2H3
InChIKeyOUDUJSFAKCIXLG-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.75
Rot. Bonds3

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

2-(piperidin-3-ylmethyl)-4-propan-2-ylpyridine (PubChem CID 115009336) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-(piperidin-3-ylmethyl)-4-propan-2-ylpyridine.

Molecular Properties

Compound Name2-(piperidin-3-ylmethyl)-4-propan-2-ylpyridine
PubChem CID115009336
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-(piperidin-3-ylmethyl)-4-propan-2-ylpyridine
SMILESCC(C)c1ccnc(CC2CCCNC2)c1
InChIInChI=1S/C14H22N2/c1-11(2)13-5-7-16-14(9-13)8-12-4-3-6-15-10-12/h5,7,9,11-12,15H,3-4,6,8,10H2,1-2H3
InChIKeyOUDUJSFAKCIXLG-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-propan-2-ylphenyl)methyl]piperidine
CID 84785652
3-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine
CID 82495631
N,N-dimethyl-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-amine
CID 86336453
2-methyl-4-[[(3R)-piperidin-3-yl]methyl]pyridine
CID 139490801
4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine
CID 157238992
2-propan-2-yl-4-(pyrrolidin-3-ylmethyl)pyrimidine
CID 83857559
(3S)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]piperidine
CID 28750110
(3R)-3-[2-(3-propan-2-ylphenoxy)ethyl]piperidine
CID 86321208
3-(piperidin-3-ylmethyl)-1,2-oxazol-5-amine
CID 83846636
3-[[4-(2-methylpropyl)phenyl]methyl]piperidine
CID 82049038
1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-3-ylethanone
CID 116917204
4-methyl-2-(piperidin-3-ylmethylsulfanyl)pyridine
CID 71639030

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-3-ylmethyl)-4-propan-2-ylpyridine?
The IUPAC name of 2-(piperidin-3-ylmethyl)-4-propan-2-ylpyridine (CID 115009336) is 2-(piperidin-3-ylmethyl)-4-propan-2-ylpyridine.
What is the SMILES notation for 2-(piperidin-3-ylmethyl)-4-propan-2-ylpyridine?
The canonical SMILES for 2-(piperidin-3-ylmethyl)-4-propan-2-ylpyridine is CC(C)c1ccnc(CC2CCCNC2)c1.
What is the InChIKey of 2-(piperidin-3-ylmethyl)-4-propan-2-ylpyridine?
The InChIKey is OUDUJSFAKCIXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11(2)13-5-7-16-14(9-13)8-12-4-3-6-15-10-12/h5,7,9,11-12,15H,3-4,6,8,10H2,1-2H3.
What are the key properties of 2-(piperidin-3-ylmethyl)-4-propan-2-ylpyridine?
2-(piperidin-3-ylmethyl)-4-propan-2-ylpyridine has a molecular weight of 218.34 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-3-ylmethyl)-4-propan-2-ylpyridine is sourced from PubChem (CID 115009336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).