2-[(4-propan-2-ylpiperidin-1-ium-1-yl)methyl]pyridine

C14H23N2+ — CID 162490805

IUPAC2-[(4-propan-2-ylpiperidin-1-ium-1-yl)methyl]pyridine
SMILESCC(C)C1CC[NH+](Cc2ccccn2)CC1
InChIInChI=1S/C14H22N2/c1-12(2)13-6-9-16(10-7-13)11-14-5-3-4-8-15-14/h3-5,8,12-13H,6-7,9-11H2,1-2H3/p+1
InChIKeyKDPYJYWRGIHFOT-UHFFFAOYSA-O
MW219.35 g/mol
LogP1.53
Rot. Bonds3

About 2-[(4-propan-2-ylpiperidin-1-ium-1-yl)methyl]pyridine

2-[(4-propan-2-ylpiperidin-1-ium-1-yl)methyl]pyridine (PubChem CID 162490805) has the molecular formula C14H23N2+ and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-[(4-propan-2-ylpiperidin-1-ium-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-[(4-propan-2-ylpiperidin-1-ium-1-yl)methyl]pyridine
PubChem CID162490805
Molecular FormulaC14H23N2+
Molecular Weight219.35 g/mol
Exact Mass219.19
IUPAC Name2-[(4-propan-2-ylpiperidin-1-ium-1-yl)methyl]pyridine
SMILESCC(C)C1CC[NH+](Cc2ccccn2)CC1
InChIInChI=1S/C14H22N2/c1-12(2)13-6-9-16(10-7-13)11-14-5-3-4-8-15-14/h3-5,8,12-13H,6-7,9-11H2,1-2H3/p+1
InChIKeyKDPYJYWRGIHFOT-UHFFFAOYSA-O
XLogP1.53
TPSA17.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium
CID 4746644
1-[(2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1,4-diium
CID 4743046
2-(1-cyclopropylethoxymethyl)pyridine
CID 88973388
2-(2-cyclopropyl-3-methylbutyl)pyridine
CID 54206046
1-(pyridin-2-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine-1,4-diium
CID 4754619
3-propan-2-yl-N-(2-pyridin-2-ylethyl)cyclobutan-1-amine
CID 103560787
2-[[4-(2-methylpropyl)cyclohexyl]methyl]pyridine
CID 129147354
1-[(3-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1,4-diium
CID 4743047
3-cyclopropyl-1-pyridin-2-ylbutan-2-amine
CID 83155129
2-(2-bromo-3-cyclopropylbutyl)pyridine
CID 83152951
2-(4-propan-2-ylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 103503493
(1S)-1-cycloheptyl-N-(pyridin-2-ylmethyl)ethanamine
CID 81391298

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-ylpiperidin-1-ium-1-yl)methyl]pyridine?
The IUPAC name of 2-[(4-propan-2-ylpiperidin-1-ium-1-yl)methyl]pyridine (CID 162490805) is 2-[(4-propan-2-ylpiperidin-1-ium-1-yl)methyl]pyridine.
What is the SMILES notation for 2-[(4-propan-2-ylpiperidin-1-ium-1-yl)methyl]pyridine?
The canonical SMILES for 2-[(4-propan-2-ylpiperidin-1-ium-1-yl)methyl]pyridine is CC(C)C1CC[NH+](Cc2ccccn2)CC1.
What is the InChIKey of 2-[(4-propan-2-ylpiperidin-1-ium-1-yl)methyl]pyridine?
The InChIKey is KDPYJYWRGIHFOT-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H22N2/c1-12(2)13-6-9-16(10-7-13)11-14-5-3-4-8-15-14/h3-5,8,12-13H,6-7,9-11H2,1-2H3/p+1.
What are the key properties of 2-[(4-propan-2-ylpiperidin-1-ium-1-yl)methyl]pyridine?
2-[(4-propan-2-ylpiperidin-1-ium-1-yl)methyl]pyridine has a molecular weight of 219.35 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylpiperidin-1-ium-1-yl)methyl]pyridine is sourced from PubChem (CID 162490805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).