1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-2-ylpropan-1-one

C15H28N2O2 — CID 107404232

IUPAC1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-2-ylpropan-1-one
SMILESCC1(O)CCCN(C(=O)CCC2CCCCN2)CC1
InChIInChI=1S/C15H28N2O2/c1-15(19)8-4-11-17(12-9-15)14(18)7-6-13-5-2-3-10-16-13/h13,16,19H,2-12H2,1H3
InChIKeyVFMMMFMIOVASBI-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.67
Rot. Bonds3

About 1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-2-ylpropan-1-one

1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-2-ylpropan-1-one (PubChem CID 107404232) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-2-ylpropan-1-one
PubChem CID107404232
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-2-ylpropan-1-one
SMILESCC1(O)CCCN(C(=O)CCC2CCCCN2)CC1
InChIInChI=1S/C15H28N2O2/c1-15(19)8-4-11-17(12-9-15)14(18)7-6-13-5-2-3-10-16-13/h13,16,19H,2-12H2,1H3
InChIKeyVFMMMFMIOVASBI-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-2-ylpropan-1-one?
The IUPAC name of 1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-2-ylpropan-1-one (CID 107404232) is 1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-2-ylpropan-1-one.
What is the SMILES notation for 1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-2-ylpropan-1-one?
The canonical SMILES for 1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-2-ylpropan-1-one is CC1(O)CCCN(C(=O)CCC2CCCCN2)CC1.
What is the InChIKey of 1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-2-ylpropan-1-one?
The InChIKey is VFMMMFMIOVASBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(19)8-4-11-17(12-9-15)14(18)7-6-13-5-2-3-10-16-13/h13,16,19H,2-12H2,1H3.
What are the key properties of 1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-2-ylpropan-1-one?
1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-2-ylpropan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-2-ylpropan-1-one is sourced from PubChem (CID 107404232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).