[4-(2,4-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine

C16H33N3 — CID 55062043

IUPAC[4-(2,4-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
SMILESCC1CCN(C2(CN)CCN(C(C)C)CC2)C(C)C1
InChIInChI=1S/C16H33N3/c1-13(2)18-9-6-16(12-17,7-10-18)19-8-5-14(3)11-15(19)4/h13-15H,5-12,17H2,1-4H3
InChIKeyAHWNKHFINRWJPJ-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.31
Rot. Bonds3

About [4-(2,4-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine

[4-(2,4-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine (PubChem CID 55062043) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is [4-(2,4-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-(2,4-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
PubChem CID55062043
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name[4-(2,4-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
SMILESCC1CCN(C2(CN)CCN(C(C)C)CC2)C(C)C1
InChIInChI=1S/C16H33N3/c1-13(2)18-9-6-16(12-17,7-10-18)19-8-5-14(3)11-15(19)4/h13-15H,5-12,17H2,1-4H3
InChIKeyAHWNKHFINRWJPJ-UHFFFAOYSA-N
XLogP2.31
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine?
The IUPAC name of [4-(2,4-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine (CID 55062043) is [4-(2,4-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine.
What is the SMILES notation for [4-(2,4-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine?
The canonical SMILES for [4-(2,4-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine is CC1CCN(C2(CN)CCN(C(C)C)CC2)C(C)C1.
What is the InChIKey of [4-(2,4-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine?
The InChIKey is AHWNKHFINRWJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-13(2)18-9-6-16(12-17,7-10-18)19-8-5-14(3)11-15(19)4/h13-15H,5-12,17H2,1-4H3.
What are the key properties of [4-(2,4-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine?
[4-(2,4-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine has a molecular weight of 267.46 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine is sourced from PubChem (CID 55062043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).