1-[(1,4-dimethylpiperidin-4-yl)methyl]-N-propylpiperidin-4-amine

C16H33N3 — CID 107164155

IUPAC1-[(1,4-dimethylpiperidin-4-yl)methyl]-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(CC2(C)CCN(C)CC2)CC1
InChIInChI=1S/C16H33N3/c1-4-9-17-15-5-10-19(11-6-15)14-16(2)7-12-18(3)13-8-16/h15,17H,4-14H2,1-3H3
InChIKeyBZGMYOYEBNHAIT-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds5

About 1-[(1,4-dimethylpiperidin-4-yl)methyl]-N-propylpiperidin-4-amine

1-[(1,4-dimethylpiperidin-4-yl)methyl]-N-propylpiperidin-4-amine (PubChem CID 107164155) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-[(1,4-dimethylpiperidin-4-yl)methyl]-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(1,4-dimethylpiperidin-4-yl)methyl]-N-propylpiperidin-4-amine
PubChem CID107164155
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-[(1,4-dimethylpiperidin-4-yl)methyl]-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(CC2(C)CCN(C)CC2)CC1
InChIInChI=1S/C16H33N3/c1-4-9-17-15-5-10-19(11-6-15)14-16(2)7-12-18(3)13-8-16/h15,17H,4-14H2,1-3H3
InChIKeyBZGMYOYEBNHAIT-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1,4-dimethylpiperidin-4-yl)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 1-[(1,4-dimethylpiperidin-4-yl)methyl]-N-propylpiperidin-4-amine?
The IUPAC name of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-N-propylpiperidin-4-amine (CID 107164155) is 1-[(1,4-dimethylpiperidin-4-yl)methyl]-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-N-propylpiperidin-4-amine?
The canonical SMILES for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-N-propylpiperidin-4-amine is CCCNC1CCN(CC2(C)CCN(C)CC2)CC1.
What is the InChIKey of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-N-propylpiperidin-4-amine?
The InChIKey is BZGMYOYEBNHAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-4-9-17-15-5-10-19(11-6-15)14-16(2)7-12-18(3)13-8-16/h15,17H,4-14H2,1-3H3.
What are the key properties of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-N-propylpiperidin-4-amine?
1-[(1,4-dimethylpiperidin-4-yl)methyl]-N-propylpiperidin-4-amine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-N-propylpiperidin-4-amine is sourced from PubChem (CID 107164155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).