(2,3-dimethylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone;hydrochloride

C14H19ClN6O — CID 120572200

IUPAC(2,3-dimethylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone;hydrochloride
SMILESCC1NCCN(C(=O)c2cccc(-n3cnnn3)c2)C1C.Cl
InChIInChI=1S/C14H18N6O.ClH/c1-10-11(2)19(7-6-15-10)14(21)12-4-3-5-13(8-12)20-9-16-17-18-20;/h3-5,8-11,15H,6-7H2,1-2H3;1H
InChIKeyDPABHEVPENYKGV-UHFFFAOYSA-N
MW322.80 g/mol
LogP0.91
Rot. Bonds2

About (2,3-dimethylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone;hydrochloride

(2,3-dimethylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone;hydrochloride (PubChem CID 120572200) has the molecular formula C14H19ClN6O and a molecular weight of 322.80 g/mol. Its IUPAC name is (2,3-dimethylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name(2,3-dimethylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone;hydrochloride
PubChem CID120572200
Molecular FormulaC14H19ClN6O
Molecular Weight322.80 g/mol
Exact Mass322.13
IUPAC Name(2,3-dimethylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone;hydrochloride
SMILESCC1NCCN(C(=O)c2cccc(-n3cnnn3)c2)C1C.Cl
InChIInChI=1S/C14H18N6O.ClH/c1-10-11(2)19(7-6-15-10)14(21)12-4-3-5-13(8-12)20-9-16-17-18-20;/h3-5,8-11,15H,6-7H2,1-2H3;1H
InChIKeyDPABHEVPENYKGV-UHFFFAOYSA-N
XLogP0.91
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-3-methylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 166233275
(2-methyl-1,3-thiazolidin-3-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 122331774
3-(2,3-dimethylpiperazine-1-carbonyl)-N-methylbenzamide;hydrochloride
CID 120569899
[3-(dimethylamino)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 82302377
N-(2-methylpiperidin-4-yl)-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 120601332
[1-(3-bromophenyl)pyrazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572468
[3-[(dimethylamino)methyl]phenyl]-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
CID 120571367
[1-(3-chlorophenyl)pyrazol-3-yl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572924
[2-(1-aminoethyl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 119435840
[(2R)-2-methylmorpholin-4-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 94017586
(3,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571214
(3-cyclopentyloxyphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571016

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone;hydrochloride?
The IUPAC name of (2,3-dimethylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone;hydrochloride (CID 120572200) is (2,3-dimethylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone;hydrochloride.
What is the SMILES notation for (2,3-dimethylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone;hydrochloride?
The canonical SMILES for (2,3-dimethylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone;hydrochloride is CC1NCCN(C(=O)c2cccc(-n3cnnn3)c2)C1C.Cl.
What is the InChIKey of (2,3-dimethylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone;hydrochloride?
The InChIKey is DPABHEVPENYKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O.ClH/c1-10-11(2)19(7-6-15-10)14(21)12-4-3-5-13(8-12)20-9-16-17-18-20;/h3-5,8-11,15H,6-7H2,1-2H3;1H.
What are the key properties of (2,3-dimethylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone;hydrochloride?
(2,3-dimethylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone;hydrochloride has a molecular weight of 322.80 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone;hydrochloride is sourced from PubChem (CID 120572200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).