3,4-di(piperidin-1-yl)butan-2-one

C14H26N2O — CID 12060709

IUPAC3,4-di(piperidin-1-yl)butan-2-one
SMILESCC(=O)C(CN1CCCCC1)N1CCCCC1
InChIInChI=1S/C14H26N2O/c1-13(17)14(16-10-6-3-7-11-16)12-15-8-4-2-5-9-15/h14H,2-12H2,1H3
InChIKeyKQFBXAXWPNMTHC-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.92
Rot. Bonds4

About 3,4-di(piperidin-1-yl)butan-2-one

3,4-di(piperidin-1-yl)butan-2-one (PubChem CID 12060709) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 3,4-di(piperidin-1-yl)butan-2-one.

Molecular Properties

Compound Name3,4-di(piperidin-1-yl)butan-2-one
PubChem CID12060709
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name3,4-di(piperidin-1-yl)butan-2-one
SMILESCC(=O)C(CN1CCCCC1)N1CCCCC1
InChIInChI=1S/C14H26N2O/c1-13(17)14(16-10-6-3-7-11-16)12-15-8-4-2-5-9-15/h14H,2-12H2,1H3
InChIKeyKQFBXAXWPNMTHC-UHFFFAOYSA-N
XLogP1.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-di(piperidin-1-yl)butan-2-one?
The IUPAC name of 3,4-di(piperidin-1-yl)butan-2-one (CID 12060709) is 3,4-di(piperidin-1-yl)butan-2-one.
What is the SMILES notation for 3,4-di(piperidin-1-yl)butan-2-one?
The canonical SMILES for 3,4-di(piperidin-1-yl)butan-2-one is CC(=O)C(CN1CCCCC1)N1CCCCC1.
What is the InChIKey of 3,4-di(piperidin-1-yl)butan-2-one?
The InChIKey is KQFBXAXWPNMTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-13(17)14(16-10-6-3-7-11-16)12-15-8-4-2-5-9-15/h14H,2-12H2,1H3.
What are the key properties of 3,4-di(piperidin-1-yl)butan-2-one?
3,4-di(piperidin-1-yl)butan-2-one has a molecular weight of 238.37 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(piperidin-1-yl)butan-2-one is sourced from PubChem (CID 12060709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).