1-[4-(2-methylpropyl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one

C17H32N2O — CID 59001090

IUPAC1-[4-(2-methylpropyl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one
SMILESCC(C)CC1CCN(C(=O)CCN2CCCCC2)CC1
InChIInChI=1S/C17H32N2O/c1-15(2)14-16-6-12-19(13-7-16)17(20)8-11-18-9-4-3-5-10-18/h15-16H,3-14H2,1-2H3
InChIKeyMXJOQLJCDKDQGW-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.15
Rot. Bonds5

About 1-[4-(2-methylpropyl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one

1-[4-(2-methylpropyl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one (PubChem CID 59001090) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one
PubChem CID59001090
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-[4-(2-methylpropyl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one
SMILESCC(C)CC1CCN(C(=O)CCN2CCCCC2)CC1
InChIInChI=1S/C17H32N2O/c1-15(2)14-16-6-12-19(13-7-16)17(20)8-11-18-9-4-3-5-10-18/h15-16H,3-14H2,1-2H3
InChIKeyMXJOQLJCDKDQGW-UHFFFAOYSA-N
XLogP3.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-[4-(2-methylpropyl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one (CID 59001090) is 1-[4-(2-methylpropyl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-[4-(2-methylpropyl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-[4-(2-methylpropyl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one is CC(C)CC1CCN(C(=O)CCN2CCCCC2)CC1.
What is the InChIKey of 1-[4-(2-methylpropyl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one?
The InChIKey is MXJOQLJCDKDQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-15(2)14-16-6-12-19(13-7-16)17(20)8-11-18-9-4-3-5-10-18/h15-16H,3-14H2,1-2H3.
What are the key properties of 1-[4-(2-methylpropyl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one?
1-[4-(2-methylpropyl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one has a molecular weight of 280.46 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 59001090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).