4-piperidin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one

C17H32N2O — CID 59542526

IUPAC4-piperidin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one
SMILESCC(C)C1CCN(C(=O)CCCN2CCCCC2)CC1
InChIInChI=1S/C17H32N2O/c1-15(2)16-8-13-19(14-9-16)17(20)7-6-12-18-10-4-3-5-11-18/h15-16H,3-14H2,1-2H3
InChIKeySXSJKHHRBFDZBU-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.15
Rot. Bonds5

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

4-piperidin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one (PubChem CID 59542526) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 4-piperidin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-piperidin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one
PubChem CID59542526
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name4-piperidin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one
SMILESCC(C)C1CCN(C(=O)CCCN2CCCCC2)CC1
InChIInChI=1S/C17H32N2O/c1-15(2)16-8-13-19(14-9-16)17(20)7-6-12-18-10-4-3-5-11-18/h15-16H,3-14H2,1-2H3
InChIKeySXSJKHHRBFDZBU-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 4-piperidin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one?
The IUPAC name of 4-piperidin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one (CID 59542526) is 4-piperidin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 4-piperidin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 4-piperidin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one is CC(C)C1CCN(C(=O)CCCN2CCCCC2)CC1.
What is the InChIKey of 4-piperidin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one?
The InChIKey is SXSJKHHRBFDZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-15(2)16-8-13-19(14-9-16)17(20)7-6-12-18-10-4-3-5-11-18/h15-16H,3-14H2,1-2H3.
What are the key properties of 4-piperidin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one?
4-piperidin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)butan-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 4-piperidin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 59542526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).