4-methyl-N-[[(3R)-piperidin-3-yl]methyl]-1,2-dihydropyridin-2-amine

C12H21N3 — CID 86341227

IUPAC4-methyl-N-[[(3R)-piperidin-3-yl]methyl]-1,2-dihydropyridin-2-amine
SMILESCC1=CC(NC[C@@H]2CCCNC2)NC=C1
InChIInChI=1S/C12H21N3/c1-10-4-6-14-12(7-10)15-9-11-3-2-5-13-8-11/h4,6-7,11-15H,2-3,5,8-9H2,1H3/t11-,12?/m1/s1
InChIKeyRUBGOUJGJRLKBY-JHJMLUEUSA-N
MW207.32 g/mol
LogP0.96
Rot. Bonds3

About 4-methyl-N-[[(3R)-piperidin-3-yl]methyl]-1,2-dihydropyridin-2-amine

4-methyl-N-[[(3R)-piperidin-3-yl]methyl]-1,2-dihydropyridin-2-amine (PubChem CID 86341227) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-methyl-N-[[(3R)-piperidin-3-yl]methyl]-1,2-dihydropyridin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[[(3R)-piperidin-3-yl]methyl]-1,2-dihydropyridin-2-amine
PubChem CID86341227
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-methyl-N-[[(3R)-piperidin-3-yl]methyl]-1,2-dihydropyridin-2-amine
SMILESCC1=CC(NC[C@@H]2CCCNC2)NC=C1
InChIInChI=1S/C12H21N3/c1-10-4-6-14-12(7-10)15-9-11-3-2-5-13-8-11/h4,6-7,11-15H,2-3,5,8-9H2,1H3/t11-,12?/m1/s1
InChIKeyRUBGOUJGJRLKBY-JHJMLUEUSA-N
XLogP0.96
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dimethyl-N-pentyl-2H-pyridin-2-amine;ethane
CID 142193483
5-Methyl-2-piperidin-1-yl-1,2-dihydropyridine
CID 143217935
2-(4-Methylpiperidin-1-yl)-5-propan-2-yl-1,2-dihydropyridine
CID 172586879
4,10,11-trimethyl-6,8,9,10,11,11a-hexahydro-1H-pyrido[1,2-a][1,3]diazocine
CID 174112122
4-ethyl-N-(4-ethylpiperidin-2-yl)-1,2-dihydropyridin-6-amine
CID 5242011
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
2-(4-Methylpiperidin-1-yl)-1,2-dihydropyridin-5-amine
CID 86340531
2-[(3R)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-3-amine
CID 86340803
2-[(3S)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-3-amine
CID 86340804
[2-[(3R)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-5-yl]methanamine
CID 86340842
[2-[(3S)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-5-yl]methanamine
CID 86340843

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[(3R)-piperidin-3-yl]methyl]-1,2-dihydropyridin-2-amine?
The IUPAC name of 4-methyl-N-[[(3R)-piperidin-3-yl]methyl]-1,2-dihydropyridin-2-amine (CID 86341227) is 4-methyl-N-[[(3R)-piperidin-3-yl]methyl]-1,2-dihydropyridin-2-amine.
What is the SMILES notation for 4-methyl-N-[[(3R)-piperidin-3-yl]methyl]-1,2-dihydropyridin-2-amine?
The canonical SMILES for 4-methyl-N-[[(3R)-piperidin-3-yl]methyl]-1,2-dihydropyridin-2-amine is CC1=CC(NC[C@@H]2CCCNC2)NC=C1.
What is the InChIKey of 4-methyl-N-[[(3R)-piperidin-3-yl]methyl]-1,2-dihydropyridin-2-amine?
The InChIKey is RUBGOUJGJRLKBY-JHJMLUEUSA-N. The full InChI is InChI=1S/C12H21N3/c1-10-4-6-14-12(7-10)15-9-11-3-2-5-13-8-11/h4,6-7,11-15H,2-3,5,8-9H2,1H3/t11-,12?/m1/s1.
What are the key properties of 4-methyl-N-[[(3R)-piperidin-3-yl]methyl]-1,2-dihydropyridin-2-amine?
4-methyl-N-[[(3R)-piperidin-3-yl]methyl]-1,2-dihydropyridin-2-amine has a molecular weight of 207.32 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[(3R)-piperidin-3-yl]methyl]-1,2-dihydropyridin-2-amine is sourced from PubChem (CID 86341227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).