1-[(1,4-dimethylpiperidin-4-yl)methyl]-N-ethyl-2-methylpiperidin-4-amine

C16H33N3 — CID 107164166

IUPAC1-[(1,4-dimethylpiperidin-4-yl)methyl]-N-ethyl-2-methylpiperidin-4-amine
SMILESCCNC1CCN(CC2(C)CCN(C)CC2)C(C)C1
InChIInChI=1S/C16H33N3/c1-5-17-15-6-9-19(14(2)12-15)13-16(3)7-10-18(4)11-8-16/h14-15,17H,5-13H2,1-4H3
InChIKeyZKYKNHRZOBYRLW-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds4

About 1-[(1,4-dimethylpiperidin-4-yl)methyl]-N-ethyl-2-methylpiperidin-4-amine

1-[(1,4-dimethylpiperidin-4-yl)methyl]-N-ethyl-2-methylpiperidin-4-amine (PubChem CID 107164166) 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-ethyl-2-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(1,4-dimethylpiperidin-4-yl)methyl]-N-ethyl-2-methylpiperidin-4-amine
PubChem CID107164166
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-[(1,4-dimethylpiperidin-4-yl)methyl]-N-ethyl-2-methylpiperidin-4-amine
SMILESCCNC1CCN(CC2(C)CCN(C)CC2)C(C)C1
InChIInChI=1S/C16H33N3/c1-5-17-15-6-9-19(14(2)12-15)13-16(3)7-10-18(4)11-8-16/h14-15,17H,5-13H2,1-4H3
InChIKeyZKYKNHRZOBYRLW-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-N-ethyl-2-methylpiperidin-4-amine?
The IUPAC name of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-N-ethyl-2-methylpiperidin-4-amine (CID 107164166) is 1-[(1,4-dimethylpiperidin-4-yl)methyl]-N-ethyl-2-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-N-ethyl-2-methylpiperidin-4-amine?
The canonical SMILES for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-N-ethyl-2-methylpiperidin-4-amine is CCNC1CCN(CC2(C)CCN(C)CC2)C(C)C1.
What is the InChIKey of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-N-ethyl-2-methylpiperidin-4-amine?
The InChIKey is ZKYKNHRZOBYRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-5-17-15-6-9-19(14(2)12-15)13-16(3)7-10-18(4)11-8-16/h14-15,17H,5-13H2,1-4H3.
What are the key properties of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-N-ethyl-2-methylpiperidin-4-amine?
1-[(1,4-dimethylpiperidin-4-yl)methyl]-N-ethyl-2-methylpiperidin-4-amine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 4 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-ethyl-2-methylpiperidin-4-amine is sourced from PubChem (CID 107164166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).