[3-(2-aminoethyl)cyclohexyl]-(3,5-dimethylpiperidin-1-yl)methanone

C16H30N2O — CID 55115174

IUPAC[3-(2-aminoethyl)cyclohexyl]-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)C2CCCC(CCN)C2)C1
InChIInChI=1S/C16H30N2O/c1-12-8-13(2)11-18(10-12)16(19)15-5-3-4-14(9-15)6-7-17/h12-15H,3-11,17H2,1-2H3
InChIKeyYCQZGLVEEZZLBP-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.65
Rot. Bonds3

About [3-(2-aminoethyl)cyclohexyl]-(3,5-dimethylpiperidin-1-yl)methanone

[3-(2-aminoethyl)cyclohexyl]-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 55115174) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is [3-(2-aminoethyl)cyclohexyl]-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2-aminoethyl)cyclohexyl]-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID55115174
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name[3-(2-aminoethyl)cyclohexyl]-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)C2CCCC(CCN)C2)C1
InChIInChI=1S/C16H30N2O/c1-12-8-13(2)11-18(10-12)16(19)15-5-3-4-14(9-15)6-7-17/h12-15H,3-11,17H2,1-2H3
InChIKeyYCQZGLVEEZZLBP-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[3-(2-aminoethyl)cyclohexanecarbonyl]piperidin-4-yl]acetamide
CID 62807118
[3-(2-aminoethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63161750
2-[3-(2-aminoethyl)cyclohexanecarbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82858606
[3-(2-aminoethyl)piperidin-1-yl]-cyclobutylmethanone
CID 63766706
[3-(2-aminoethyl)cyclohexyl]-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107226614
(3-aminocyclopentyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 66032470
[3-(2-aminoethyl)cyclohexyl]-(2-ethylazepan-1-yl)methanone
CID 104692568
1-[3-(2-aminoethyl)cyclohexanecarbonyl]pyrrolidine-2-carboxamide
CID 62806919
[3-(aminomethyl)cyclohexyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112629313
[3-(aminomethyl)cyclohexyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63175176
3-(2-aminoethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 62808028
[3-(aminomethyl)cyclohexyl]-(4-propylpiperazin-1-yl)methanone
CID 62808710

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)cyclohexyl]-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of [3-(2-aminoethyl)cyclohexyl]-(3,5-dimethylpiperidin-1-yl)methanone (CID 55115174) is [3-(2-aminoethyl)cyclohexyl]-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(2-aminoethyl)cyclohexyl]-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(2-aminoethyl)cyclohexyl]-(3,5-dimethylpiperidin-1-yl)methanone is CC1CC(C)CN(C(=O)C2CCCC(CCN)C2)C1.
What is the InChIKey of [3-(2-aminoethyl)cyclohexyl]-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is YCQZGLVEEZZLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-12-8-13(2)11-18(10-12)16(19)15-5-3-4-14(9-15)6-7-17/h12-15H,3-11,17H2,1-2H3.
What are the key properties of [3-(2-aminoethyl)cyclohexyl]-(3,5-dimethylpiperidin-1-yl)methanone?
[3-(2-aminoethyl)cyclohexyl]-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 266.43 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)cyclohexyl]-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 55115174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).