[3-(2-aminoethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone

C17H32N2O — CID 63161750

IUPAC[3-(2-aminoethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
SMILESCCC1(C)CCN(C(=O)C2CCCC(CCN)C2)CC1
InChIInChI=1S/C17H32N2O/c1-3-17(2)8-11-19(12-9-17)16(20)15-6-4-5-14(13-15)7-10-18/h14-15H,3-13,18H2,1-2H3
InChIKeyOMNYPJCGURZSJM-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.18
Rot. Bonds4

About [3-(2-aminoethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone

[3-(2-aminoethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone (PubChem CID 63161750) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is [3-(2-aminoethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2-aminoethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
PubChem CID63161750
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name[3-(2-aminoethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
SMILESCCC1(C)CCN(C(=O)C2CCCC(CCN)C2)CC1
InChIInChI=1S/C17H32N2O/c1-3-17(2)8-11-19(12-9-17)16(20)15-6-4-5-14(13-15)7-10-18/h14-15H,3-13,18H2,1-2H3
InChIKeyOMNYPJCGURZSJM-UHFFFAOYSA-N
XLogP3.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.18
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-aminocyclohexyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone;hydrochloride
CID 119766741
[3-(2-aminoethyl)cyclohexyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 55115174
2-[1-[3-(2-aminoethyl)cyclohexanecarbonyl]piperidin-4-yl]acetamide
CID 62807118
[3-(2-aminoethyl)cyclohexyl]-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107226614
[3-(2-aminoethyl)cyclohexyl]-(2-ethylazepan-1-yl)methanone
CID 104692568
(4-ethyl-4-methylpiperidin-1-yl)-piperidin-4-ylmethanone
CID 63160104
cis-(1S,2R)-2-(4-ethyl-4-methylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114092294
[3-(2-aminoethyl)piperidin-1-yl]-cyclobutylmethanone
CID 63766706
1-[3-(2-aminoethyl)cyclohexanecarbonyl]pyrrolidine-2-carboxamide
CID 62806919
(2-amino-6-methylcyclohexyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 55160462
[3-(aminomethyl)cyclohexyl]-(4-propylpiperazin-1-yl)methanone
CID 62808710

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-(2-aminoethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone (CID 63161750) is [3-(2-aminoethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(2-aminoethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(2-aminoethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone is CCC1(C)CCN(C(=O)C2CCCC(CCN)C2)CC1.
What is the InChIKey of [3-(2-aminoethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone?
The InChIKey is OMNYPJCGURZSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-3-17(2)8-11-19(12-9-17)16(20)15-6-4-5-14(13-15)7-10-18/h14-15H,3-13,18H2,1-2H3.
What are the key properties of [3-(2-aminoethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone?
[3-(2-aminoethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone has a molecular weight of 280.46 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 63161750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).