1-[3-(methylaminomethyl)piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone;hydrochloride

C16H23ClN6O — CID 119397669

IUPAC1-[3-(methylaminomethyl)piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone;hydrochloride
SMILESCNCC1CCCN(C(=O)Cn2nnc(-c3ccccc3)n2)C1.Cl
InChIInChI=1S/C16H22N6O.ClH/c1-17-10-13-6-5-9-21(11-13)15(23)12-22-19-16(18-20-22)14-7-3-2-4-8-14;/h2-4,7-8,13,17H,5-6,9-12H2,1H3;1H
InChIKeyYXLZIWZBVIVUQH-UHFFFAOYSA-N
MW350.85 g/mol
LogP1.22
Rot. Bonds5

About 1-[3-(methylaminomethyl)piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone;hydrochloride

1-[3-(methylaminomethyl)piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone;hydrochloride (PubChem CID 119397669) has the molecular formula C16H23ClN6O and a molecular weight of 350.85 g/mol. Its IUPAC name is 1-[3-(methylaminomethyl)piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[3-(methylaminomethyl)piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone;hydrochloride
PubChem CID119397669
Molecular FormulaC16H23ClN6O
Molecular Weight350.85 g/mol
Exact Mass350.16
IUPAC Name1-[3-(methylaminomethyl)piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone;hydrochloride
SMILESCNCC1CCCN(C(=O)Cn2nnc(-c3ccccc3)n2)C1.Cl
InChIInChI=1S/C16H22N6O.ClH/c1-17-10-13-6-5-9-21(11-13)15(23)12-22-19-16(18-20-22)14-7-3-2-4-8-14;/h2-4,7-8,13,17H,5-6,9-12H2,1H3;1H
InChIKeyYXLZIWZBVIVUQH-UHFFFAOYSA-N
XLogP1.22
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(methylaminomethyl)piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 119545660
3-[(3R)-1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-3-yl]propanoic acid
CID 124701783
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 9262794
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 56816775
1-[3-(methylaminomethyl)piperidin-1-yl]-3-(2-phenylphenoxy)propan-1-one;hydrochloride
CID 119397554
1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone;hydrochloride
CID 119396606
N-[4-[3-(methylaminomethyl)piperidin-1-yl]-4-oxobutyl]benzamide;hydrochloride
CID 119398775
(1-benzylpyrrolidin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119398857
[3-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride
CID 119399001
1-[3-(methylaminomethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119397483
[(3R)-3-(methylaminomethyl)piperidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone
CID 124684688
1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone
CID 119396607

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylaminomethyl)piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone;hydrochloride?
The IUPAC name of 1-[3-(methylaminomethyl)piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone;hydrochloride (CID 119397669) is 1-[3-(methylaminomethyl)piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-[3-(methylaminomethyl)piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone;hydrochloride?
The canonical SMILES for 1-[3-(methylaminomethyl)piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone;hydrochloride is CNCC1CCCN(C(=O)Cn2nnc(-c3ccccc3)n2)C1.Cl.
What is the InChIKey of 1-[3-(methylaminomethyl)piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone;hydrochloride?
The InChIKey is YXLZIWZBVIVUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O.ClH/c1-17-10-13-6-5-9-21(11-13)15(23)12-22-19-16(18-20-22)14-7-3-2-4-8-14;/h2-4,7-8,13,17H,5-6,9-12H2,1H3;1H.
What are the key properties of 1-[3-(methylaminomethyl)piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone;hydrochloride?
1-[3-(methylaminomethyl)piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylaminomethyl)piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone;hydrochloride is sourced from PubChem (CID 119397669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).