2-cyclopropyl-4-hydroxy-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one

C17H30N2O2 — CID 143121281

IUPAC2-cyclopropyl-4-hydroxy-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one
SMILESO=C(C(CCO)C1CC1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H30N2O2/c20-13-8-16(14-4-5-14)17(21)19-11-6-15(7-12-19)18-9-2-1-3-10-18/h14-16,20H,1-13H2
InChIKeyWHGXDRVBSONDMG-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.87
Rot. Bonds5

About 2-cyclopropyl-4-hydroxy-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one

2-cyclopropyl-4-hydroxy-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one (PubChem CID 143121281) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-cyclopropyl-4-hydroxy-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name2-cyclopropyl-4-hydroxy-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one
PubChem CID143121281
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-cyclopropyl-4-hydroxy-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one
SMILESO=C(C(CCO)C1CC1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H30N2O2/c20-13-8-16(14-4-5-14)17(21)19-11-6-15(7-12-19)18-9-2-1-3-10-18/h14-16,20H,1-13H2
InChIKeyWHGXDRVBSONDMG-UHFFFAOYSA-N
XLogP1.87
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 61041479
3-amino-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol
CID 64898995
2,3-dimethyl-4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
CID 103497901
1-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 54874227
3-amino-4-oxo-4-(4-pyrrolidin-1-ylpiperidin-1-yl)butanoic acid
CID 64895343
(2R)-2-amino-3,3-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one
CID 103929400
2-aminooxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 71196964
(2R)-2-(4-piperidin-1-ylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 1439732
2-hydroxyethyl 4-pyrrolidin-1-ylpiperidine-1-carboxylate
CID 79349412
(2R)-2-amino-4-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one
CID 93469877
2-amino-2-(oxan-4-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 120800008
(2R)-2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 78925476

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-hydroxy-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one?
The IUPAC name of 2-cyclopropyl-4-hydroxy-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one (CID 143121281) is 2-cyclopropyl-4-hydroxy-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 2-cyclopropyl-4-hydroxy-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 2-cyclopropyl-4-hydroxy-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one is O=C(C(CCO)C1CC1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 2-cyclopropyl-4-hydroxy-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one?
The InChIKey is WHGXDRVBSONDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c20-13-8-16(14-4-5-14)17(21)19-11-6-15(7-12-19)18-9-2-1-3-10-18/h14-16,20H,1-13H2.
What are the key properties of 2-cyclopropyl-4-hydroxy-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one?
2-cyclopropyl-4-hydroxy-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one has a molecular weight of 294.44 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-hydroxy-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 143121281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).