1-[3-(2-cyclopropyl-2-hydroxyethyl)-5-(cyclopropylmethylamino)piperidin-1-yl]ethanone

C16H28N2O2 — CID 83996454

IUPAC1-[3-(2-cyclopropyl-2-hydroxyethyl)-5-(cyclopropylmethylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CC(CC(O)C2CC2)CC(NCC2CC2)C1
InChIInChI=1S/C16H28N2O2/c1-11(19)18-9-13(7-16(20)14-4-5-14)6-15(10-18)17-8-12-2-3-12/h12-17,20H,2-10H2,1H3
InChIKeyOIPISIWDCCQNEE-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.38
Rot. Bonds6

About 1-[3-(2-cyclopropyl-2-hydroxyethyl)-5-(cyclopropylmethylamino)piperidin-1-yl]ethanone

1-[3-(2-cyclopropyl-2-hydroxyethyl)-5-(cyclopropylmethylamino)piperidin-1-yl]ethanone (PubChem CID 83996454) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-[3-(2-cyclopropyl-2-hydroxyethyl)-5-(cyclopropylmethylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-cyclopropyl-2-hydroxyethyl)-5-(cyclopropylmethylamino)piperidin-1-yl]ethanone
PubChem CID83996454
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-[3-(2-cyclopropyl-2-hydroxyethyl)-5-(cyclopropylmethylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CC(CC(O)C2CC2)CC(NCC2CC2)C1
InChIInChI=1S/C16H28N2O2/c1-11(19)18-9-13(7-16(20)14-4-5-14)6-15(10-18)17-8-12-2-3-12/h12-17,20H,2-10H2,1H3
InChIKeyOIPISIWDCCQNEE-UHFFFAOYSA-N
XLogP1.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(cyclopropylmethylamino)-5-(2-hydroxy-3-methylbutyl)piperidin-1-yl]ethanone
CID 83996453
1-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanone
CID 83997130
1-[3-butyl-5-(cyclopentylmethylamino)piperidin-1-yl]ethanone
CID 83997819
3-(cyclopropylamino)-5-(2-cyclopropyl-2-hydroxyethyl)piperidine-1-carboxamide
CID 83991623
3-[1-acetyl-5-(cyclohexylmethylamino)piperidin-3-yl]propanoic acid
CID 83998522
1-[3-(2-hydroxy-3-methylbutyl)-5-(methylamino)piperidin-1-yl]ethanone
CID 83989746
1-[3-(cyclopropylamino)-5-(2-hydroxybutyl)piperidin-1-yl]ethanone
CID 83991645
1-[3-(cyclopropylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83996520
1-cyclopropyl-2-[5-(2-methylpropylamino)-1-propan-2-ylpiperidin-3-yl]ethanol
CID 83994301
methyl N-[1-acetyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate
CID 112543205
1-[3-(cyclopentylmethylamino)pyrrolidin-1-yl]ethanone
CID 115908114
1-cyclopropyl-2-[1-methyl-5-(methylamino)piperidin-3-yl]ethanol
CID 83989545

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-cyclopropyl-2-hydroxyethyl)-5-(cyclopropylmethylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-(2-cyclopropyl-2-hydroxyethyl)-5-(cyclopropylmethylamino)piperidin-1-yl]ethanone (CID 83996454) is 1-[3-(2-cyclopropyl-2-hydroxyethyl)-5-(cyclopropylmethylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(2-cyclopropyl-2-hydroxyethyl)-5-(cyclopropylmethylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(2-cyclopropyl-2-hydroxyethyl)-5-(cyclopropylmethylamino)piperidin-1-yl]ethanone is CC(=O)N1CC(CC(O)C2CC2)CC(NCC2CC2)C1.
What is the InChIKey of 1-[3-(2-cyclopropyl-2-hydroxyethyl)-5-(cyclopropylmethylamino)piperidin-1-yl]ethanone?
The InChIKey is OIPISIWDCCQNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-11(19)18-9-13(7-16(20)14-4-5-14)6-15(10-18)17-8-12-2-3-12/h12-17,20H,2-10H2,1H3.
What are the key properties of 1-[3-(2-cyclopropyl-2-hydroxyethyl)-5-(cyclopropylmethylamino)piperidin-1-yl]ethanone?
1-[3-(2-cyclopropyl-2-hydroxyethyl)-5-(cyclopropylmethylamino)piperidin-1-yl]ethanone has a molecular weight of 280.41 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-cyclopropyl-2-hydroxyethyl)-5-(cyclopropylmethylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 83996454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).