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

C15H28N2O — CID 62807473

IUPAC[4-(aminomethyl)cyclohexyl]-(4-ethylpiperidin-1-yl)methanone
SMILESCCC1CCN(C(=O)C2CCC(CN)CC2)CC1
InChIInChI=1S/C15H28N2O/c1-2-12-7-9-17(10-8-12)15(18)14-5-3-13(11-16)4-6-14/h12-14H,2-11,16H2,1H3
InChIKeyJURNQFMTCBHSTM-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.40
Rot. Bonds3

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

[4-(aminomethyl)cyclohexyl]-(4-ethylpiperidin-1-yl)methanone (PubChem CID 62807473) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is [4-(aminomethyl)cyclohexyl]-(4-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)cyclohexyl]-(4-ethylpiperidin-1-yl)methanone
PubChem CID62807473
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name[4-(aminomethyl)cyclohexyl]-(4-ethylpiperidin-1-yl)methanone
SMILESCCC1CCN(C(=O)C2CCC(CN)CC2)CC1
InChIInChI=1S/C15H28N2O/c1-2-12-7-9-17(10-8-12)15(18)14-5-3-13(11-16)4-6-14/h12-14H,2-11,16H2,1H3
InChIKeyJURNQFMTCBHSTM-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

[4-(aminomethyl)piperidin-1-yl]-(4-methylcyclohexyl)methanone
CID 81468169
[4-(aminomethyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 55115030
[4-(aminomethyl)cyclohexyl]-(3-ethylpiperidin-1-yl)methanone
CID 62806234
[4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride
CID 53256357
(4-ethylcyclohexyl)-piperazin-1-ylmethanone
CID 118883051
(4-ethylcyclohexyl)-[4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidin-1-yl]methanone
CID 167480439
ethane;(4-ethylcyclohexyl)-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 176683952
cis-(1S,3R)-3-(4-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114091996
[4-(aminomethyl)cyclohexyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62808544
cyclopropyl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 110736017
(3-amino-4-methylcyclohexyl)-(4-ethylpiperidin-1-yl)methanone
CID 62780914
[4-(aminomethyl)cyclohexyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 62806035

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)cyclohexyl]-(4-ethylpiperidin-1-yl)methanone?
The IUPAC name of [4-(aminomethyl)cyclohexyl]-(4-ethylpiperidin-1-yl)methanone (CID 62807473) is [4-(aminomethyl)cyclohexyl]-(4-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)cyclohexyl]-(4-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(aminomethyl)cyclohexyl]-(4-ethylpiperidin-1-yl)methanone is CCC1CCN(C(=O)C2CCC(CN)CC2)CC1.
What is the InChIKey of [4-(aminomethyl)cyclohexyl]-(4-ethylpiperidin-1-yl)methanone?
The InChIKey is JURNQFMTCBHSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-12-7-9-17(10-8-12)15(18)14-5-3-13(11-16)4-6-14/h12-14H,2-11,16H2,1H3.
What are the key properties of [4-(aminomethyl)cyclohexyl]-(4-ethylpiperidin-1-yl)methanone?
[4-(aminomethyl)cyclohexyl]-(4-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]-(4-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 62807473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).