piperidin-1-yl(piperidin-4-yl)methanone;hydrochloride

C11H21ClN2O — CID 17385515

IUPACpiperidin-1-yl(piperidin-4-yl)methanone;hydrochloride
SMILESCl.O=C(C1CCNCC1)N1CCCCC1
InChIInChI=1S/C11H20N2O.ClH/c14-11(10-4-6-12-7-5-10)13-8-2-1-3-9-13;/h10,12H,1-9H2;1H
InChIKeyBFMOLOSQRJILGK-UHFFFAOYSA-N
MW232.75 g/mol
LogP1.42
Rot. Bonds1

About piperidin-1-yl(piperidin-4-yl)methanone;hydrochloride

piperidin-1-yl(piperidin-4-yl)methanone;hydrochloride (PubChem CID 17385515) has the molecular formula C11H21ClN2O and a molecular weight of 232.75 g/mol. Its IUPAC name is piperidin-1-yl(piperidin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Namepiperidin-1-yl(piperidin-4-yl)methanone;hydrochloride
PubChem CID17385515
Molecular FormulaC11H21ClN2O
Molecular Weight232.75 g/mol
Exact Mass232.13
IUPAC Namepiperidin-1-yl(piperidin-4-yl)methanone;hydrochloride
SMILESCl.O=C(C1CCNCC1)N1CCCCC1
InChIInChI=1S/C11H20N2O.ClH/c14-11(10-4-6-12-7-5-10)13-8-2-1-3-9-13;/h10,12H,1-9H2;1H
InChIKeyBFMOLOSQRJILGK-UHFFFAOYSA-N
XLogP1.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl(piperidin-4-yl)methanone;hydrochloride?
The IUPAC name of piperidin-1-yl(piperidin-4-yl)methanone;hydrochloride (CID 17385515) is piperidin-1-yl(piperidin-4-yl)methanone;hydrochloride.
What is the SMILES notation for piperidin-1-yl(piperidin-4-yl)methanone;hydrochloride?
The canonical SMILES for piperidin-1-yl(piperidin-4-yl)methanone;hydrochloride is Cl.O=C(C1CCNCC1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl(piperidin-4-yl)methanone;hydrochloride?
The InChIKey is BFMOLOSQRJILGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O.ClH/c14-11(10-4-6-12-7-5-10)13-8-2-1-3-9-13;/h10,12H,1-9H2;1H.
What are the key properties of piperidin-1-yl(piperidin-4-yl)methanone;hydrochloride?
piperidin-1-yl(piperidin-4-yl)methanone;hydrochloride has a molecular weight of 232.75 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl(piperidin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 17385515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).