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

C12H15ClN4O — CID 142638813

IUPACbenzotriazol-1-yl(piperidin-1-yl)methanone;hydrochloride
SMILESCl.O=C(N1CCCCC1)n1nnc2ccccc21
InChIInChI=1S/C12H14N4O.ClH/c17-12(15-8-4-1-5-9-15)16-11-7-3-2-6-10(11)13-14-16;/h2-3,6-7H,1,4-5,8-9H2;1H
InChIKeyWHHDGAWKBIMESV-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.31
Rot. Bonds

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

benzotriazol-1-yl(piperidin-1-yl)methanone;hydrochloride (PubChem CID 142638813) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is benzotriazol-1-yl(piperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Namebenzotriazol-1-yl(piperidin-1-yl)methanone;hydrochloride
PubChem CID142638813
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Namebenzotriazol-1-yl(piperidin-1-yl)methanone;hydrochloride
SMILESCl.O=C(N1CCCCC1)n1nnc2ccccc21
InChIInChI=1S/C12H14N4O.ClH/c17-12(15-8-4-1-5-9-15)16-11-7-3-2-6-10(11)13-14-16;/h2-3,6-7H,1,4-5,8-9H2;1H
InChIKeyWHHDGAWKBIMESV-UHFFFAOYSA-N
XLogP2.31
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzhydrylpiperazin-1-yl)-(benzotriazol-1-yl)methanone
CID 71453311
benzotriazol-1-yl-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 66683053
benzotriazol-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 5132815
2-(benzotriazol-1-yl)prop-2-enoic acid
CID 174497195
1-(1-cyclohexylprop-1-enyl)benzotriazole
CID 3753797
benzotriazol-1-yl-(4-methylcyclohexyl)methanone
CID 26794170
dimethyl 2-(benzotriazol-1-yl)-3-(piperidin-1-ylmethyl)but-2-enedioate
CID 3746603
benzotriazol-1-yl-[(1S,2S)-2-fluorocyclopropyl]methanone
CID 178012586
[4-(benzotriazol-1-ylmethylamino)phenyl]-piperidin-1-ylmethanone
CID 12669213
(1-methylbenzimidazol-2-yl)-piperidin-1-ylmethanone
CID 110469012
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 1469612
2-(benzotriazol-1-yl)-1-cyclohexylethanone
CID 115579305

Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl(piperidin-1-yl)methanone;hydrochloride?
The IUPAC name of benzotriazol-1-yl(piperidin-1-yl)methanone;hydrochloride (CID 142638813) is benzotriazol-1-yl(piperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for benzotriazol-1-yl(piperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for benzotriazol-1-yl(piperidin-1-yl)methanone;hydrochloride is Cl.O=C(N1CCCCC1)n1nnc2ccccc21.
What is the InChIKey of benzotriazol-1-yl(piperidin-1-yl)methanone;hydrochloride?
The InChIKey is WHHDGAWKBIMESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O.ClH/c17-12(15-8-4-1-5-9-15)16-11-7-3-2-6-10(11)13-14-16;/h2-3,6-7H,1,4-5,8-9H2;1H.
What are the key properties of benzotriazol-1-yl(piperidin-1-yl)methanone;hydrochloride?
benzotriazol-1-yl(piperidin-1-yl)methanone;hydrochloride has a molecular weight of 266.73 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl(piperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 142638813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).