2-cyclohexyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone

C17H32N2O — CID 63241326

IUPAC2-cyclohexyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
SMILESCC(C)NCC1CCCN(C(=O)CC2CCCCC2)C1
InChIInChI=1S/C17H32N2O/c1-14(2)18-12-16-9-6-10-19(13-16)17(20)11-15-7-4-3-5-8-15/h14-16,18H,3-13H2,1-2H3
InChIKeyHMEVSFDMELUNRC-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.19
Rot. Bonds5

About 2-cyclohexyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone

2-cyclohexyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone (PubChem CID 63241326) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-cyclohexyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
PubChem CID63241326
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name2-cyclohexyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
SMILESCC(C)NCC1CCCN(C(=O)CC2CCCCC2)C1
InChIInChI=1S/C17H32N2O/c1-14(2)18-12-16-9-6-10-19(13-16)17(20)11-15-7-4-3-5-8-15/h14-16,18H,3-13H2,1-2H3
InChIKeyHMEVSFDMELUNRC-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63241290
1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241729
2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241777
2-cyclopropyl-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119398117
methyl 3-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 63241337
2,2-dimethyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241776
3-ethoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63240826
1-(2-cyclobutylacetyl)-3-[(sulfamoylamino)methyl]piperidine
CID 113244692
2-cyclohexyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62372498
1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103805704
methyl (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxylate
CID 78919382
1-[3-(methylaminomethyl)piperidin-1-yl]-2-(thian-4-yl)ethanone
CID 83135935

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone (CID 63241326) is 2-cyclohexyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone is CC(C)NCC1CCCN(C(=O)CC2CCCCC2)C1.
What is the InChIKey of 2-cyclohexyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone?
The InChIKey is HMEVSFDMELUNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-14(2)18-12-16-9-6-10-19(13-16)17(20)11-15-7-4-3-5-8-15/h14-16,18H,3-13H2,1-2H3.
What are the key properties of 2-cyclohexyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone?
2-cyclohexyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone has a molecular weight of 280.46 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 63241326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).