[2-[(3S)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-3-yl]methanamine

C12H21N3 — CID 86340910

IUPAC[2-[(3S)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-3-yl]methanamine
SMILESC[C@H]1CCCN(C2NC=CC=C2CN)C1
InChIInChI=1S/C12H21N3/c1-10-4-3-7-15(9-10)12-11(8-13)5-2-6-14-12/h2,5-6,10,12,14H,3-4,7-9,13H2,1H3/t10-,12?/m0/s1
InChIKeyHSAGPEYAEDJDTI-NUHJPDEHSA-N
MW207.32 g/mol
LogP1.05
Rot. Bonds2

About [2-[(3S)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-3-yl]methanamine

[2-[(3S)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-3-yl]methanamine (PubChem CID 86340910) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is [2-[(3S)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-3-yl]methanamine.

Molecular Properties

Compound Name[2-[(3S)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-3-yl]methanamine
PubChem CID86340910
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name[2-[(3S)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-3-yl]methanamine
SMILESC[C@H]1CCCN(C2NC=CC=C2CN)C1
InChIInChI=1S/C12H21N3/c1-10-4-3-7-15(9-10)12-11(8-13)5-2-6-14-12/h2,5-6,10,12,14H,3-4,7-9,13H2,1H3/t10-,12?/m0/s1
InChIKeyHSAGPEYAEDJDTI-NUHJPDEHSA-N
XLogP1.05
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Piperidin-1-yl-1,2-dihydropyridine
CID 21878399
1-piperidin-2-yl-2H-pyridine
CID 69375797
5-(4-Propan-2-ylpiperidin-1-yl)-1,2-dihydropyridin-2-amine
CID 118969980
2-N'-ethyl-2-N'-(piperidin-4-ylmethyl)-2-N-propan-2-yl-1H-pyridine-2,2-diamine
CID 140397208
1-[2-(3,3-dimethylpiperidin-1-yl)propan-2-yl]-2H-pyridin-2-amine
CID 154101987
(1E,3Z)-1-(3-methylpiperidin-1-yl)buta-1,3-diene-1,4-diamine
CID 155737997
2-(1-butylpiperidin-4-yl)-3-methyl-2,6-dihydro-1H-pyrimidine
CID 157853403
1-(1,2-dihydropyridin-2-yl)-N,N-dimethylpiperidin-4-amine
CID 173024564
4,10,11-trimethyl-6,8,9,10,11,11a-hexahydro-1H-pyrido[1,2-a][1,3]diazocine
CID 174112122
2-(4,4-dimethylpiperidin-1-yl)-1H-pyridin-2-amine
CID 175362543
2-[(3R)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-5-amine
CID 86340525
2-[(3S)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-5-amine
CID 86340526

Frequently Asked Questions

What is the IUPAC name of [2-[(3S)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-3-yl]methanamine?
The IUPAC name of [2-[(3S)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-3-yl]methanamine (CID 86340910) is [2-[(3S)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-3-yl]methanamine.
What is the SMILES notation for [2-[(3S)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-3-yl]methanamine?
The canonical SMILES for [2-[(3S)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-3-yl]methanamine is C[C@H]1CCCN(C2NC=CC=C2CN)C1.
What is the InChIKey of [2-[(3S)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-3-yl]methanamine?
The InChIKey is HSAGPEYAEDJDTI-NUHJPDEHSA-N. The full InChI is InChI=1S/C12H21N3/c1-10-4-3-7-15(9-10)12-11(8-13)5-2-6-14-12/h2,5-6,10,12,14H,3-4,7-9,13H2,1H3/t10-,12?/m0/s1.
What are the key properties of [2-[(3S)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-3-yl]methanamine?
[2-[(3S)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-3-yl]methanamine has a molecular weight of 207.32 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3S)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-3-yl]methanamine is sourced from PubChem (CID 86340910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).