[4-(aminomethyl)cyclohexyl]-(3-ethylpiperidin-1-yl)methanone

C15H28N2O — CID 62806234

IUPAC[4-(aminomethyl)cyclohexyl]-(3-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCN(C(=O)C2CCC(CN)CC2)C1
InChIInChI=1S/C15H28N2O/c1-2-12-4-3-9-17(11-12)15(18)14-7-5-13(10-16)6-8-14/h12-14H,2-11,16H2,1H3
InChIKeyCPLCXNPMYIOLMN-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.40
Rot. Bonds3

About [4-(aminomethyl)cyclohexyl]-(3-ethylpiperidin-1-yl)methanone

[4-(aminomethyl)cyclohexyl]-(3-ethylpiperidin-1-yl)methanone (PubChem CID 62806234) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is [4-(aminomethyl)cyclohexyl]-(3-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)cyclohexyl]-(3-ethylpiperidin-1-yl)methanone
PubChem CID62806234
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name[4-(aminomethyl)cyclohexyl]-(3-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCN(C(=O)C2CCC(CN)CC2)C1
InChIInChI=1S/C15H28N2O/c1-2-12-4-3-9-17(11-12)15(18)14-7-5-13(10-16)6-8-14/h12-14H,2-11,16H2,1H3
InChIKeyCPLCXNPMYIOLMN-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[(3R)-3-ethylpiperidin-1-yl]methanone
CID 176933785
(4-aminocyclohexyl)-(3-ethylpiperidin-1-yl)methanone
CID 60846917
[3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone
CID 130577977
[4-(aminomethyl)cyclohexyl]-(4-ethylpiperidin-1-yl)methanone
CID 62807473
[3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone
CID 65019049
[3-(aminomethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260151
cis-(1S,3R)-3-(3-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114091790
[4-(aminomethyl)cyclohexyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 62806035
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpiperidin-1-yl)methanone
CID 120788294
(3-aminopiperidin-1-yl)-(4-butylcyclohexyl)methanone
CID 61296841
[4-(aminomethyl)cyclohexyl]-(3-phenylpiperidin-1-yl)methanone
CID 46967384
cyclopentyl-(3-ethyl-6-methylazepan-1-yl)methanone
CID 70909624

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)cyclohexyl]-(3-ethylpiperidin-1-yl)methanone?
The IUPAC name of [4-(aminomethyl)cyclohexyl]-(3-ethylpiperidin-1-yl)methanone (CID 62806234) is [4-(aminomethyl)cyclohexyl]-(3-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)cyclohexyl]-(3-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(aminomethyl)cyclohexyl]-(3-ethylpiperidin-1-yl)methanone is CCC1CCCN(C(=O)C2CCC(CN)CC2)C1.
What is the InChIKey of [4-(aminomethyl)cyclohexyl]-(3-ethylpiperidin-1-yl)methanone?
The InChIKey is CPLCXNPMYIOLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-12-4-3-9-17(11-12)15(18)14-7-5-13(10-16)6-8-14/h12-14H,2-11,16H2,1H3.
What are the key properties of [4-(aminomethyl)cyclohexyl]-(3-ethylpiperidin-1-yl)methanone?
[4-(aminomethyl)cyclohexyl]-(3-ethylpiperidin-1-yl)methanone has a molecular weight of 252.40 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)cyclohexyl]-(3-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 62806234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).