(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride

C17H20ClN3O — CID 110755805

IUPAC(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccncc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H19N3O.ClH/c21-17(16-6-8-18-9-7-16)20-12-10-19(11-13-20)14-15-4-2-1-3-5-15;/h1-9H,10-14H2;1H
InChIKeyAZSMTUQYJOMYQC-UHFFFAOYSA-N
MW317.82 g/mol
LogP2.46
Rot. Bonds3

About (4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride

(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride (PubChem CID 110755805) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
PubChem CID110755805
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccncc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H19N3O.ClH/c21-17(16-6-8-18-9-7-16)20-12-10-19(11-13-20)14-15-4-2-1-3-5-15;/h1-9H,10-14H2;1H
InChIKeyAZSMTUQYJOMYQC-UHFFFAOYSA-N
XLogP2.46
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-benzylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226790
(4-bromophenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 52988481
(4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone
CID 110853065
(4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856605
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 828834
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
(1-phenylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226792
[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110884353
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone;oxalic acid
CID 17366501
[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 75402169
(3-aminophenyl)-(4-benzylpiperazin-1-yl)methanone;dihydrochloride
CID 119826758
(4-benzyl-1,4-diazepan-1-yl)-(4-methylphenyl)methanone
CID 23738787

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride?
The IUPAC name of (4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride (CID 110755805) is (4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride?
The canonical SMILES for (4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride is Cl.O=C(c1ccncc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride?
The InChIKey is AZSMTUQYJOMYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O.ClH/c21-17(16-6-8-18-9-7-16)20-12-10-19(11-13-20)14-15-4-2-1-3-5-15;/h1-9H,10-14H2;1H.
What are the key properties of (4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride?
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride has a molecular weight of 317.82 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride is sourced from PubChem (CID 110755805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).