[3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine

C14H23N3 — CID 113457157

IUPAC[3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine
SMILESCc1ccc(CN2CCCC(C)C2CN)cn1
InChIInChI=1S/C14H23N3/c1-11-4-3-7-17(14(11)8-15)10-13-6-5-12(2)16-9-13/h5-6,9,11,14H,3-4,7-8,10,15H2,1-2H3
InChIKeyYYJPDOQHGWIMQI-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.95
Rot. Bonds3

About [3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine

[3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine (PubChem CID 113457157) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is [3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine
PubChem CID113457157
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name[3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine
SMILESCc1ccc(CN2CCCC(C)C2CN)cn1
InChIInChI=1S/C14H23N3/c1-11-4-3-7-17(14(11)8-15)10-13-6-5-12(2)16-9-13/h5-6,9,11,14H,3-4,7-8,10,15H2,1-2H3
InChIKeyYYJPDOQHGWIMQI-UHFFFAOYSA-N
XLogP1.95
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine
CID 115527232
[1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine
CID 120841208
[1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine
CID 83089793
[1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 120841207
[3-methyl-1-[(1-phenylimidazol-2-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 120841155
2-[(6-methyl-3-pyridinyl)methyl]-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939180
[1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 119926209
5-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethylpyridin-2-amine
CID 62183133
[1-[(3-bromothiophen-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 119925979
[1-[(2,5-difluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 119925929
[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-2-yl]methanamine
CID 119926025
2-[4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanamine
CID 134406832

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine?
The IUPAC name of [3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine (CID 113457157) is [3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine?
The canonical SMILES for [3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine is Cc1ccc(CN2CCCC(C)C2CN)cn1.
What is the InChIKey of [3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine?
The InChIKey is YYJPDOQHGWIMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11-4-3-7-17(14(11)8-15)10-13-6-5-12(2)16-9-13/h5-6,9,11,14H,3-4,7-8,10,15H2,1-2H3.
What are the key properties of [3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine?
[3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine has a molecular weight of 233.36 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 113457157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).