[3-(1-aminoethyl)piperidin-1-yl]-(2-cyclohexylcyclopropyl)methanone

C17H30N2O — CID 119593107

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-(2-cyclohexylcyclopropyl)methanone
SMILESCC(N)C1CCCN(C(=O)C2CC2C2CCCCC2)C1
InChIInChI=1S/C17H30N2O/c1-12(18)14-8-5-9-19(11-14)17(20)16-10-15(16)13-6-3-2-4-7-13/h12-16H,2-11,18H2,1H3
InChIKeySFNGZQBPBCUMLW-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.79
Rot. Bonds3

About [3-(1-aminoethyl)piperidin-1-yl]-(2-cyclohexylcyclopropyl)methanone

[3-(1-aminoethyl)piperidin-1-yl]-(2-cyclohexylcyclopropyl)methanone (PubChem CID 119593107) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-(2-cyclohexylcyclopropyl)methanone.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-(2-cyclohexylcyclopropyl)methanone
PubChem CID119593107
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-(2-cyclohexylcyclopropyl)methanone
SMILESCC(N)C1CCCN(C(=O)C2CC2C2CCCCC2)C1
InChIInChI=1S/C17H30N2O/c1-12(18)14-8-5-9-19(11-14)17(20)16-10-15(16)13-6-3-2-4-7-13/h12-16H,2-11,18H2,1H3
InChIKeySFNGZQBPBCUMLW-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[3-(1-aminoethyl)piperidine-1-carbonyl]cyclohexyl]-pyrrolidin-1-ylmethanone
CID 119594689
[3-(1-aminoethyl)piperidin-1-yl]-cycloheptylmethanone;hydrochloride
CID 119595993
[3-(1-aminoethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260950
[3-(1-aminoethyl)piperidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride
CID 119594774
[3-(1-aminoethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride
CID 119595332
(2-cyclopropylcyclopropyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493995
[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclooctylmethanone
CID 112630786
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
CID 119593119
(3R)-1-[(1R,2R)-2-cyclohexylcyclopropanecarbonyl]-3-[(sulfamoylamino)methyl]piperidine
CID 100907653
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(2R)-1-methylsulfonylpiperidin-2-yl]methanone
CID 125146980
methyl (3S)-3-[(1R)-1-aminoethyl]piperidine-1-carboxylate
CID 95320381
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-methylcyclopentyl)methanone
CID 107181051

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(2-cyclohexylcyclopropyl)methanone?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(2-cyclohexylcyclopropyl)methanone (CID 119593107) is [3-(1-aminoethyl)piperidin-1-yl]-(2-cyclohexylcyclopropyl)methanone.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-(2-cyclohexylcyclopropyl)methanone?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-(2-cyclohexylcyclopropyl)methanone is CC(N)C1CCCN(C(=O)C2CC2C2CCCCC2)C1.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-(2-cyclohexylcyclopropyl)methanone?
The InChIKey is SFNGZQBPBCUMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-12(18)14-8-5-9-19(11-14)17(20)16-10-15(16)13-6-3-2-4-7-13/h12-16H,2-11,18H2,1H3.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-(2-cyclohexylcyclopropyl)methanone?
[3-(1-aminoethyl)piperidin-1-yl]-(2-cyclohexylcyclopropyl)methanone has a molecular weight of 278.44 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-(2-cyclohexylcyclopropyl)methanone is sourced from PubChem (CID 119593107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).