2-[(4-aminocyclohexyl)-methylamino]-1-(3-methylpiperidin-1-yl)ethanone

C15H29N3O — CID 79121016

IUPAC2-[(4-aminocyclohexyl)-methylamino]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)CN(C)C2CCC(N)CC2)C1
InChIInChI=1S/C15H29N3O/c1-12-4-3-9-18(10-12)15(19)11-17(2)14-7-5-13(16)6-8-14/h12-14H,3-11,16H2,1-2H3
InChIKeyQVUKIPWLCNMQFX-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.45
Rot. Bonds3

About 2-[(4-aminocyclohexyl)-methylamino]-1-(3-methylpiperidin-1-yl)ethanone

2-[(4-aminocyclohexyl)-methylamino]-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 79121016) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)-methylamino]-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)-methylamino]-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID79121016
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-[(4-aminocyclohexyl)-methylamino]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)CN(C)C2CCC(N)CC2)C1
InChIInChI=1S/C15H29N3O/c1-12-4-3-9-18(10-12)15(19)11-17(2)14-7-5-13(16)6-8-14/h12-14H,3-11,16H2,1-2H3
InChIKeyQVUKIPWLCNMQFX-UHFFFAOYSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)-methylamino]-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[(4-aminocyclohexyl)-methylamino]-1-(3-methylpiperidin-1-yl)ethanone (CID 79121016) is 2-[(4-aminocyclohexyl)-methylamino]-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[(4-aminocyclohexyl)-methylamino]-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[(4-aminocyclohexyl)-methylamino]-1-(3-methylpiperidin-1-yl)ethanone is CC1CCCN(C(=O)CN(C)C2CCC(N)CC2)C1.
What is the InChIKey of 2-[(4-aminocyclohexyl)-methylamino]-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is QVUKIPWLCNMQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12-4-3-9-18(10-12)15(19)11-17(2)14-7-5-13(16)6-8-14/h12-14H,3-11,16H2,1-2H3.
What are the key properties of 2-[(4-aminocyclohexyl)-methylamino]-1-(3-methylpiperidin-1-yl)ethanone?
2-[(4-aminocyclohexyl)-methylamino]-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 267.42 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)-methylamino]-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 79121016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).