1-[2-(aminomethyl)piperidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone

C15H28N2O2 — CID 126791024

IUPAC1-[2-(aminomethyl)piperidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone
SMILESCC1CCCC(OCC(=O)N2CCCCC2CN)C1
InChIInChI=1S/C15H28N2O2/c1-12-5-4-7-14(9-12)19-11-15(18)17-8-3-2-6-13(17)10-16/h12-14H,2-11,16H2,1H3
InChIKeyZWAFPDOFBODFFX-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.92
Rot. Bonds4

About 1-[2-(aminomethyl)piperidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone

1-[2-(aminomethyl)piperidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone (PubChem CID 126791024) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[2-(aminomethyl)piperidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)piperidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone
PubChem CID126791024
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-[2-(aminomethyl)piperidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone
SMILESCC1CCCC(OCC(=O)N2CCCCC2CN)C1
InChIInChI=1S/C15H28N2O2/c1-12-5-4-7-14(9-12)19-11-15(18)17-8-3-2-6-13(17)10-16/h12-14H,2-11,16H2,1H3
InChIKeyZWAFPDOFBODFFX-UHFFFAOYSA-N
XLogP1.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(aminomethyl)piperidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[(2S)-2-(aminomethyl)piperidin-1-yl]-2-[(1S,3R)-3-methylcyclohexyl]oxypropan-1-one
CID 125146700
1-[2-(aminomethyl)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone
CID 119469675
1-cyclohexyl-2-(3-methylcyclohexyl)oxyethanone
CID 104751838
1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one
CID 129384436
1-[2-(aminomethyl)piperidin-1-yl]decan-1-one
CID 65428281
methyl 4-[2-[(1R,3S)-3-methylcyclohexyl]oxyacetyl]piperazine-1-carboxylate
CID 96503144
1-[2-(aminomethyl)piperidin-1-yl]-2-prop-2-enoxyethanone
CID 119469700
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone
CID 110022886
1-[2-(aminomethyl)piperidin-1-yl]-3-ethylpentan-1-one
CID 119467538
1-[2-(aminomethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 113265479
3-[(2S)-1-(2-cyclohexyloxyacetyl)piperidin-2-yl]propanoic acid
CID 124699624
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-methoxyethoxy)ethanone;hydrochloride
CID 119633758

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone?
The IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone (CID 126791024) is 1-[2-(aminomethyl)piperidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone.
What is the SMILES notation for 1-[2-(aminomethyl)piperidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone?
The canonical SMILES for 1-[2-(aminomethyl)piperidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone is CC1CCCC(OCC(=O)N2CCCCC2CN)C1.
What is the InChIKey of 1-[2-(aminomethyl)piperidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone?
The InChIKey is ZWAFPDOFBODFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12-5-4-7-14(9-12)19-11-15(18)17-8-3-2-6-13(17)10-16/h12-14H,2-11,16H2,1H3.
What are the key properties of 1-[2-(aminomethyl)piperidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone?
1-[2-(aminomethyl)piperidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone has a molecular weight of 268.40 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)piperidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone is sourced from PubChem (CID 126791024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).