(3-aminocyclohexyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone;hydrochloride

C15H29ClN2O — CID 119766741

IUPAC(3-aminocyclohexyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone;hydrochloride
SMILESCCC1(C)CCN(C(=O)C2CCCC(N)C2)CC1.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-3-15(2)7-9-17(10-8-15)14(18)12-5-4-6-13(16)11-12;/h12-13H,3-11,16H2,1-2H3;1H
InChIKeyGRDGBIPLBJVEDX-UHFFFAOYSA-N
MW288.86 g/mol
LogP2.96
Rot. Bonds2

About (3-aminocyclohexyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone;hydrochloride

(3-aminocyclohexyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone;hydrochloride (PubChem CID 119766741) has the molecular formula C15H29ClN2O and a molecular weight of 288.86 g/mol. Its IUPAC name is (3-aminocyclohexyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminocyclohexyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone;hydrochloride
PubChem CID119766741
Molecular FormulaC15H29ClN2O
Molecular Weight288.86 g/mol
Exact Mass288.20
IUPAC Name(3-aminocyclohexyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone;hydrochloride
SMILESCCC1(C)CCN(C(=O)C2CCCC(N)C2)CC1.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-3-15(2)7-9-17(10-8-15)14(18)12-5-4-6-13(16)11-12;/h12-13H,3-11,16H2,1-2H3;1H
InChIKeyGRDGBIPLBJVEDX-UHFFFAOYSA-N
XLogP2.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.86
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63162410
[3-(2-aminoethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63161750
(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669540
1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399092
(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003
(3-aminocyclopentyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 66010680
[(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride
CID 154910496
2-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone;hydrochloride
CID 119735026
(3-aminocyclohexyl)-(4-methylazepan-1-yl)methanone;hydrochloride
CID 119756366
[(1R,3S)-3-aminocyclohexyl]-(4-hydroxypiperidin-1-yl)methanone
CID 59401514
(2-amino-6-methylcyclohexyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 55160462
(4-ethyl-4-methylpiperidin-1-yl)-piperidin-4-ylmethanone
CID 63160104

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of (3-aminocyclohexyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone;hydrochloride (CID 119766741) is (3-aminocyclohexyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3-aminocyclohexyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (3-aminocyclohexyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone;hydrochloride is CCC1(C)CCN(C(=O)C2CCCC(N)C2)CC1.Cl.
What is the InChIKey of (3-aminocyclohexyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone;hydrochloride?
The InChIKey is GRDGBIPLBJVEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O.ClH/c1-3-15(2)7-9-17(10-8-15)14(18)12-5-4-6-13(16)11-12;/h12-13H,3-11,16H2,1-2H3;1H.
What are the key properties of (3-aminocyclohexyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone;hydrochloride?
(3-aminocyclohexyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone;hydrochloride has a molecular weight of 288.86 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119766741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).