[3-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-2-yl]methanamine;hydrochloride

C15H23ClN6 — CID 119926252

IUPAC[3-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
SMILESCC1CCCN(Cc2nnnn2-c2ccccc2)C1CN.Cl
InChIInChI=1S/C15H22N6.ClH/c1-12-6-5-9-20(14(12)10-16)11-15-17-18-19-21(15)13-7-3-2-4-8-13;/h2-4,7-8,12,14H,5-6,9-11,16H2,1H3;1H
InChIKeyXICZLVIMRNLYSG-UHFFFAOYSA-N
MW322.84 g/mol
LogP1.64
Rot. Bonds4

About [3-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-2-yl]methanamine;hydrochloride

[3-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-2-yl]methanamine;hydrochloride (PubChem CID 119926252) has the molecular formula C15H23ClN6 and a molecular weight of 322.84 g/mol. Its IUPAC name is [3-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
PubChem CID119926252
Molecular FormulaC15H23ClN6
Molecular Weight322.84 g/mol
Exact Mass322.17
IUPAC Name[3-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
SMILESCC1CCCN(Cc2nnnn2-c2ccccc2)C1CN.Cl
InChIInChI=1S/C15H22N6.ClH/c1-12-6-5-9-20(14(12)10-16)11-15-17-18-19-21(15)13-7-3-2-4-8-13;/h2-4,7-8,12,14H,5-6,9-11,16H2,1H3;1H
InChIKeyXICZLVIMRNLYSG-UHFFFAOYSA-N
XLogP1.64
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-methyl-1-[(1-phenylimidazol-2-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 120841155
1-[(2R)-2-[(2S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95343995
trans-(1S,2R)-1-methyl-2-[(2S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 129485464
N-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-3-amine;hydrochloride
CID 119920301
5-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-phenyltetrazole
CID 95349117
5-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-phenyltetrazole
CID 95293291
1-[(1-phenyltetrazol-5-yl)methyl]azepane
CID 47010715
(4aS,8aS)-4-[(1-phenyltetrazol-5-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 94032320
[3-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119926244
1-(2-methylcyclopentyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 107417869
5-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methyl]-1-phenyltetrazole
CID 17418366
3,3-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-amine
CID 120775351

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [3-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-2-yl]methanamine;hydrochloride (CID 119926252) is [3-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [3-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-2-yl]methanamine;hydrochloride is CC1CCCN(Cc2nnnn2-c2ccccc2)C1CN.Cl.
What is the InChIKey of [3-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-2-yl]methanamine;hydrochloride?
The InChIKey is XICZLVIMRNLYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6.ClH/c1-12-6-5-9-20(14(12)10-16)11-15-17-18-19-21(15)13-7-3-2-4-8-13;/h2-4,7-8,12,14H,5-6,9-11,16H2,1H3;1H.
What are the key properties of [3-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-2-yl]methanamine;hydrochloride?
[3-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-2-yl]methanamine;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119926252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).