1-[4-(aminomethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone;hydrochloride

C15H21ClN6O — CID 119423814

IUPAC1-[4-(aminomethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone;hydrochloride
SMILESCl.NCC1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1
InChIInChI=1S/C15H20N6O.ClH/c16-10-13-5-7-20(8-6-13)15(22)9-12-1-3-14(4-2-12)21-11-17-18-19-21;/h1-4,11,13H,5-10,16H2;1H
InChIKeyYVAPLGJPNRICGA-UHFFFAOYSA-N
MW336.83 g/mol
LogP0.82
Rot. Bonds4

About 1-[4-(aminomethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone;hydrochloride

1-[4-(aminomethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone;hydrochloride (PubChem CID 119423814) has the molecular formula C15H21ClN6O and a molecular weight of 336.83 g/mol. Its IUPAC name is 1-[4-(aminomethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(aminomethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone;hydrochloride
PubChem CID119423814
Molecular FormulaC15H21ClN6O
Molecular Weight336.83 g/mol
Exact Mass336.15
IUPAC Name1-[4-(aminomethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone;hydrochloride
SMILESCl.NCC1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1
InChIInChI=1S/C15H20N6O.ClH/c16-10-13-5-7-20(8-6-13)15(22)9-12-1-3-14(4-2-12)21-11-17-18-19-21;/h1-4,11,13H,5-10,16H2;1H
InChIKeyYVAPLGJPNRICGA-UHFFFAOYSA-N
XLogP0.82
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.83
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 111561769
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone;hydrochloride
CID 120656067
1-[3-(cyclopropylmethoxy)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 136533491
N-benzyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide
CID 78858542
1-(4-propylpiperazin-1-yl)-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 39734467
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 120656068
1-[6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 86730459
1-[4-(3-methylphenoxy)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 70767696
1-[4-(4-nitrophenyl)sulfanylpiperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 86730523
(2S)-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]pyrrolidine-2-carboxylic acid
CID 119366022
1-[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 72856646
1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 70779136

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone;hydrochloride?
The IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone;hydrochloride (CID 119423814) is 1-[4-(aminomethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(aminomethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone;hydrochloride?
The canonical SMILES for 1-[4-(aminomethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone;hydrochloride is Cl.NCC1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1.
What is the InChIKey of 1-[4-(aminomethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone;hydrochloride?
The InChIKey is YVAPLGJPNRICGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O.ClH/c16-10-13-5-7-20(8-6-13)15(22)9-12-1-3-14(4-2-12)21-11-17-18-19-21;/h1-4,11,13H,5-10,16H2;1H.
What are the key properties of 1-[4-(aminomethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone;hydrochloride?
1-[4-(aminomethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone;hydrochloride has a molecular weight of 336.83 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone;hydrochloride is sourced from PubChem (CID 119423814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).