2,3-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-N-propylpiperidin-4-amine

C17H29N3 — CID 79406728

IUPAC2,3-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(Cc2cccc(C)n2)C(C)C1C
InChIInChI=1S/C17H29N3/c1-5-10-18-17-9-11-20(15(4)14(17)3)12-16-8-6-7-13(2)19-16/h6-8,14-15,17-18H,5,9-12H2,1-4H3
InChIKeyVAGANLDHGDQRFX-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.99
Rot. Bonds5

About 2,3-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-N-propylpiperidin-4-amine

2,3-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-N-propylpiperidin-4-amine (PubChem CID 79406728) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2,3-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name2,3-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-N-propylpiperidin-4-amine
PubChem CID79406728
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2,3-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(Cc2cccc(C)n2)C(C)C1C
InChIInChI=1S/C17H29N3/c1-5-10-18-17-9-11-20(15(4)14(17)3)12-16-8-6-7-13(2)19-16/h6-8,14-15,17-18H,5,9-12H2,1-4H3
InChIKeyVAGANLDHGDQRFX-UHFFFAOYSA-N
XLogP2.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-N-propylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-N-propylpiperidin-4-amine?
The IUPAC name of 2,3-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-N-propylpiperidin-4-amine (CID 79406728) is 2,3-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-N-propylpiperidin-4-amine.
What is the SMILES notation for 2,3-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-N-propylpiperidin-4-amine?
The canonical SMILES for 2,3-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-N-propylpiperidin-4-amine is CCCNC1CCN(Cc2cccc(C)n2)C(C)C1C.
What is the InChIKey of 2,3-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-N-propylpiperidin-4-amine?
The InChIKey is VAGANLDHGDQRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-10-18-17-9-11-20(15(4)14(17)3)12-16-8-6-7-13(2)19-16/h6-8,14-15,17-18H,5,9-12H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-N-propylpiperidin-4-amine?
2,3-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-N-propylpiperidin-4-amine has a molecular weight of 275.44 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-N-propylpiperidin-4-amine is sourced from PubChem (CID 79406728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).