2-(3-aminocyclohexyl)-1-(4-propylpiperidin-1-yl)ethanone

C16H30N2O — CID 55116567

IUPAC2-(3-aminocyclohexyl)-1-(4-propylpiperidin-1-yl)ethanone
SMILESCCCC1CCN(C(=O)CC2CCCC(N)C2)CC1
InChIInChI=1S/C16H30N2O/c1-2-4-13-7-9-18(10-8-13)16(19)12-14-5-3-6-15(17)11-14/h13-15H,2-12,17H2,1H3
InChIKeyPVGACXLTVADKBU-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.93
Rot. Bonds4

About 2-(3-aminocyclohexyl)-1-(4-propylpiperidin-1-yl)ethanone

2-(3-aminocyclohexyl)-1-(4-propylpiperidin-1-yl)ethanone (PubChem CID 55116567) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-1-(4-propylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-1-(4-propylpiperidin-1-yl)ethanone
PubChem CID55116567
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-(3-aminocyclohexyl)-1-(4-propylpiperidin-1-yl)ethanone
SMILESCCCC1CCN(C(=O)CC2CCCC(N)C2)CC1
InChIInChI=1S/C16H30N2O/c1-2-4-13-7-9-18(10-8-13)16(19)12-14-5-3-6-15(17)11-14/h13-15H,2-12,17H2,1H3
InChIKeyPVGACXLTVADKBU-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

1-(4-acetyl-1,4-diazepan-1-yl)-2-(3-aminocyclohexyl)ethanone
CID 62782273
2-(3-aminocyclohexyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 62781702
2-hydroxy-1-(4-propylpiperidin-1-yl)ethanone
CID 143775534
2-(3-aminocyclohexyl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone
CID 102746252
2-(1-aminocyclopentyl)-1-(4-propylpiperidin-1-yl)ethanone
CID 64677432
(3-aminocyclopentyl)-(4-propylazepan-1-yl)methanone
CID 66009237
2-(3-aminocyclohexyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 62776851
2-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone;hydrochloride
CID 119735026
1-(4-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 62205259
2-(3-aminocyclohexyl)-1-(2,2-dimethylmorpholin-4-yl)ethanone
CID 62781870
(1-aminocyclopropyl)-(4-propylpiperidin-1-yl)methanone
CID 65466440
ethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone
CID 166152008

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-1-(4-propylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(3-aminocyclohexyl)-1-(4-propylpiperidin-1-yl)ethanone (CID 55116567) is 2-(3-aminocyclohexyl)-1-(4-propylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(3-aminocyclohexyl)-1-(4-propylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(3-aminocyclohexyl)-1-(4-propylpiperidin-1-yl)ethanone is CCCC1CCN(C(=O)CC2CCCC(N)C2)CC1.
What is the InChIKey of 2-(3-aminocyclohexyl)-1-(4-propylpiperidin-1-yl)ethanone?
The InChIKey is PVGACXLTVADKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-2-4-13-7-9-18(10-8-13)16(19)12-14-5-3-6-15(17)11-14/h13-15H,2-12,17H2,1H3.
What are the key properties of 2-(3-aminocyclohexyl)-1-(4-propylpiperidin-1-yl)ethanone?
2-(3-aminocyclohexyl)-1-(4-propylpiperidin-1-yl)ethanone has a molecular weight of 266.43 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-1-(4-propylpiperidin-1-yl)ethanone is sourced from PubChem (CID 55116567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).