2-(1-aminocyclohexyl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone

C16H30N2O — CID 103495472

IUPAC2-(1-aminocyclohexyl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
SMILESCC(C)C1CCN(C(=O)CC2(N)CCCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-13(2)14-6-10-18(11-7-14)15(19)12-16(17)8-4-3-5-9-16/h13-14H,3-12,17H2,1-2H3
InChIKeyHKLYTONCBBFLME-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.93
Rot. Bonds3

About 2-(1-aminocyclohexyl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone

2-(1-aminocyclohexyl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone (PubChem CID 103495472) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
PubChem CID103495472
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-(1-aminocyclohexyl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
SMILESCC(C)C1CCN(C(=O)CC2(N)CCCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-13(2)14-6-10-18(11-7-14)15(19)12-16(17)8-4-3-5-9-16/h13-14H,3-12,17H2,1-2H3
InChIKeyHKLYTONCBBFLME-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclopentyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 112625298
2-(1-aminocyclopentyl)-1-(4-propylpiperidin-1-yl)ethanone
CID 64677432
2-(1-aminocyclopentyl)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 64679819
2-[1-(methylamino)cyclohexyl]-1-(4-propan-2-ylazepan-1-yl)ethanone
CID 65242623
1-(4-acetylpiperazin-1-yl)-2-(1-aminocyclohexyl)ethanone
CID 64683862
2-(1-aminocyclopentyl)-1-(4-methoxypiperidin-1-yl)ethanone
CID 64683977
2-(1-aminocyclobutyl)-1-(azepan-1-yl)ethanone
CID 79851408
2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 155469719
1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-3-carboxamide
CID 114081869
2-(1-aminocyclobutyl)-1-(azocan-1-yl)ethanone;hydrochloride
CID 91659456
1-(4-acetyl-1,4-diazepan-1-yl)-2-(1-aminocyclopentyl)ethanone
CID 64679240
2-(1-aminocyclohexyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 64685550

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(1-aminocyclohexyl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone (CID 103495472) is 2-(1-aminocyclohexyl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(1-aminocyclohexyl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(1-aminocyclohexyl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone is CC(C)C1CCN(C(=O)CC2(N)CCCCC2)CC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone?
The InChIKey is HKLYTONCBBFLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13(2)14-6-10-18(11-7-14)15(19)12-16(17)8-4-3-5-9-16/h13-14H,3-12,17H2,1-2H3.
What are the key properties of 2-(1-aminocyclohexyl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone?
2-(1-aminocyclohexyl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone has a molecular weight of 266.43 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 103495472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).