1-[3-(cyclopropylamino)-5-(1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one

C15H28N2O2 — CID 83991690

IUPAC1-[3-(cyclopropylamino)-5-(1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(O)C1CC(NC2CC2)CN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C15H28N2O2/c1-10(18)11-7-13(16-12-5-6-12)9-17(8-11)14(19)15(2,3)4/h10-13,16,18H,5-9H2,1-4H3
InChIKeyUKJAPFJICHGMPQ-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.38
Rot. Bonds3

About 1-[3-(cyclopropylamino)-5-(1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[3-(cyclopropylamino)-5-(1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 83991690) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[3-(cyclopropylamino)-5-(1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-(cyclopropylamino)-5-(1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID83991690
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-[3-(cyclopropylamino)-5-(1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(O)C1CC(NC2CC2)CN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C15H28N2O2/c1-10(18)11-7-13(16-12-5-6-12)9-17(8-11)14(19)15(2,3)4/h10-13,16,18H,5-9H2,1-4H3
InChIKeyUKJAPFJICHGMPQ-UHFFFAOYSA-N
XLogP1.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83991687
1-[3-(cyclohexylamino)-5-methylpiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83999265
N-[1-acetyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542253
N-[5-(1-hydroxyethyl)-1-(2-methylpropanoyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542313
1-[3-(2,2-dimethylpropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83995119
1-[5-(cyclopropylamino)-1-(1-cyclopropylethyl)piperidin-3-yl]ethanol
CID 83991863
1-[3-(1-hydroxyethyl)-5-(methylamino)piperidin-1-yl]ethanone
CID 83989743
1-[3-(1-hydroxyethyl)-5-(methylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 83989811
1-[3-(cyclohexylamino)-5-propylpiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83999267
1-[3-(2,2-dimethylpropylamino)-5-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 83995067
N-[5-(1-hydroxyethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542096
tert-butyl 3-[(4-propan-2-ylcyclohexyl)amino]azetidine-1-carboxylate
CID 107241780

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylamino)-5-(1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-(cyclopropylamino)-5-(1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 83991690) is 1-[3-(cyclopropylamino)-5-(1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-(cyclopropylamino)-5-(1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-(cyclopropylamino)-5-(1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one is CC(O)C1CC(NC2CC2)CN(C(=O)C(C)(C)C)C1.
What is the InChIKey of 1-[3-(cyclopropylamino)-5-(1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is UKJAPFJICHGMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-10(18)11-7-13(16-12-5-6-12)9-17(8-11)14(19)15(2,3)4/h10-13,16,18H,5-9H2,1-4H3.
What are the key properties of 1-[3-(cyclopropylamino)-5-(1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[3-(cyclopropylamino)-5-(1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylamino)-5-(1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 83991690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).