1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one

C16H30N2O — CID 83998592

IUPAC1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCC(NCC2CCCCC2)C1
InChIInChI=1S/C16H30N2O/c1-13(2)16(19)18-10-6-9-15(12-18)17-11-14-7-4-3-5-8-14/h13-15,17H,3-12H2,1-2H3
InChIKeyPDGNOTRMNCBGTA-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.80
Rot. Bonds4

About 1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one

1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 83998592) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID83998592
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCC(NCC2CCCCC2)C1
InChIInChI=1S/C16H30N2O/c1-13(2)16(19)18-10-6-9-15(12-18)17-11-14-7-4-3-5-8-14/h13-15,17H,3-12H2,1-2H3
InChIKeyPDGNOTRMNCBGTA-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(cyclopentylmethylamino)piperidine-1-carboxylate
CID 83997762
1-[3-(cyclopentylmethylamino)piperidin-1-yl]propan-1-one
CID 83997840
1-[3-(cyclopentylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83997903
2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241777
1-[3-(cyclopentylmethylamino)pyrrolidin-1-yl]ethanone
CID 115908114
2-methyl-1-[(3S)-3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]piperidin-1-yl]propan-1-one
CID 71047048
1-[3-(cyclopropylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83996520
tert-butyl 3-(cycloheptylmethylamino)pyrrolidine-1-carboxylate
CID 107239420
2-methyl-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]propan-1-one
CID 62386340
methyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate
CID 83998161
2-methyl-1-[3-[(1,4,5-trimethylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one
CID 131894675
1-[3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 119622385

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one (CID 83998592) is 1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCCC(NCC2CCCCC2)C1.
What is the InChIKey of 1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is PDGNOTRMNCBGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13(2)16(19)18-10-6-9-15(12-18)17-11-14-7-4-3-5-8-14/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one?
1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 266.43 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 83998592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).