4-piperidin-4-ylbenzamide;hydrochloride

C12H17ClN2O — CID 68719929

IUPAC4-piperidin-4-ylbenzamide;hydrochloride
SMILESCl.NC(=O)c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C12H16N2O.ClH/c13-12(15)11-3-1-9(2-4-11)10-5-7-14-8-6-10;/h1-4,10,14H,5-8H2,(H2,13,15);1H
InChIKeyLSVVLKJBDPPCFC-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.67
Rot. Bonds2

About 4-piperidin-4-ylbenzamide;hydrochloride

4-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 68719929) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 4-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-piperidin-4-ylbenzamide;hydrochloride
PubChem CID68719929
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name4-piperidin-4-ylbenzamide;hydrochloride
SMILESCl.NC(=O)c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C12H16N2O.ClH/c13-12(15)11-3-1-9(2-4-11)10-5-7-14-8-6-10;/h1-4,10,14H,5-8H2,(H2,13,15);1H
InChIKeyLSVVLKJBDPPCFC-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 4-piperidin-4-ylbenzamide;hydrochloride (CID 68719929) is 4-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 4-piperidin-4-ylbenzamide;hydrochloride is Cl.NC(=O)c1ccc(C2CCNCC2)cc1.
What is the InChIKey of 4-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is LSVVLKJBDPPCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O.ClH/c13-12(15)11-3-1-9(2-4-11)10-5-7-14-8-6-10;/h1-4,10,14H,5-8H2,(H2,13,15);1H.
What are the key properties of 4-piperidin-4-ylbenzamide;hydrochloride?
4-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 240.73 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 68719929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).