4-methyl-N-(piperidin-4-ylmethyl)-1,2-dihydropyridin-2-amine

C12H21N3 — CID 86341229

IUPAC4-methyl-N-(piperidin-4-ylmethyl)-1,2-dihydropyridin-2-amine
SMILESCC1=CC(NCC2CCNCC2)NC=C1
InChIInChI=1S/C12H21N3/c1-10-2-7-14-12(8-10)15-9-11-3-5-13-6-4-11/h2,7-8,11-15H,3-6,9H2,1H3
InChIKeyGTLYJPYIEDAEDU-UHFFFAOYSA-N
MW207.32 g/mol
LogP0.96
Rot. Bonds3

About 4-methyl-N-(piperidin-4-ylmethyl)-1,2-dihydropyridin-2-amine

4-methyl-N-(piperidin-4-ylmethyl)-1,2-dihydropyridin-2-amine (PubChem CID 86341229) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-methyl-N-(piperidin-4-ylmethyl)-1,2-dihydropyridin-2-amine.

Molecular Properties

Compound Name4-methyl-N-(piperidin-4-ylmethyl)-1,2-dihydropyridin-2-amine
PubChem CID86341229
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-methyl-N-(piperidin-4-ylmethyl)-1,2-dihydropyridin-2-amine
SMILESCC1=CC(NCC2CCNCC2)NC=C1
InChIInChI=1S/C12H21N3/c1-10-2-7-14-12(8-10)15-9-11-3-5-13-6-4-11/h2,7-8,11-15H,3-6,9H2,1H3
InChIKeyGTLYJPYIEDAEDU-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(piperidin-4-ylmethyl)-1,2-dihydropyridin-2-amine?
The IUPAC name of 4-methyl-N-(piperidin-4-ylmethyl)-1,2-dihydropyridin-2-amine (CID 86341229) is 4-methyl-N-(piperidin-4-ylmethyl)-1,2-dihydropyridin-2-amine.
What is the SMILES notation for 4-methyl-N-(piperidin-4-ylmethyl)-1,2-dihydropyridin-2-amine?
The canonical SMILES for 4-methyl-N-(piperidin-4-ylmethyl)-1,2-dihydropyridin-2-amine is CC1=CC(NCC2CCNCC2)NC=C1.
What is the InChIKey of 4-methyl-N-(piperidin-4-ylmethyl)-1,2-dihydropyridin-2-amine?
The InChIKey is GTLYJPYIEDAEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10-2-7-14-12(8-10)15-9-11-3-5-13-6-4-11/h2,7-8,11-15H,3-6,9H2,1H3.
What are the key properties of 4-methyl-N-(piperidin-4-ylmethyl)-1,2-dihydropyridin-2-amine?
4-methyl-N-(piperidin-4-ylmethyl)-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-(piperidin-4-ylmethyl)-1,2-dihydropyridin-2-amine is sourced from PubChem (CID 86341229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).