1,3-di(piperidin-1-yl)propan-1-one;hydrochloride

C13H25ClN2O — CID 3030626

IUPAC1,3-di(piperidin-1-yl)propan-1-one;hydrochloride
SMILESCl.O=C(CCN1CCCCC1)N1CCCCC1
InChIInChI=1S/C13H24N2O.ClH/c16-13(15-10-5-2-6-11-15)7-12-14-8-3-1-4-9-14;/h1-12H2;1H
InChIKeyZDZSHVXJSXFFPY-UHFFFAOYSA-N
MW260.81 g/mol
LogP2.30
Rot. Bonds3

About 1,3-di(piperidin-1-yl)propan-1-one;hydrochloride

1,3-di(piperidin-1-yl)propan-1-one;hydrochloride (PubChem CID 3030626) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is 1,3-di(piperidin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1,3-di(piperidin-1-yl)propan-1-one;hydrochloride
PubChem CID3030626
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC Name1,3-di(piperidin-1-yl)propan-1-one;hydrochloride
SMILESCl.O=C(CCN1CCCCC1)N1CCCCC1
InChIInChI=1S/C13H24N2O.ClH/c16-13(15-10-5-2-6-11-15)7-12-14-8-3-1-4-9-14;/h1-12H2;1H
InChIKeyZDZSHVXJSXFFPY-UHFFFAOYSA-N
XLogP2.30
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-di(piperidin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 1,3-di(piperidin-1-yl)propan-1-one;hydrochloride (CID 3030626) is 1,3-di(piperidin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 1,3-di(piperidin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 1,3-di(piperidin-1-yl)propan-1-one;hydrochloride is Cl.O=C(CCN1CCCCC1)N1CCCCC1.
What is the InChIKey of 1,3-di(piperidin-1-yl)propan-1-one;hydrochloride?
The InChIKey is ZDZSHVXJSXFFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.ClH/c16-13(15-10-5-2-6-11-15)7-12-14-8-3-1-4-9-14;/h1-12H2;1H.
What are the key properties of 1,3-di(piperidin-1-yl)propan-1-one;hydrochloride?
1,3-di(piperidin-1-yl)propan-1-one;hydrochloride has a molecular weight of 260.81 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(piperidin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 3030626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).