N-methyl-1-(1-phenyltetrazol-5-yl)piperidin-3-amine

C13H18N6 — CID 55084372

IUPACN-methyl-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
SMILESCNC1CCCN(c2nnnn2-c2ccccc2)C1
InChIInChI=1S/C13H18N6/c1-14-11-6-5-9-18(10-11)13-15-16-17-19(13)12-7-3-2-4-8-12/h2-4,7-8,11,14H,5-6,9-10H2,1H3
InChIKeyWXEDFEFRIPMLOA-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.85
Rot. Bonds3

About N-methyl-1-(1-phenyltetrazol-5-yl)piperidin-3-amine

N-methyl-1-(1-phenyltetrazol-5-yl)piperidin-3-amine (PubChem CID 55084372) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is N-methyl-1-(1-phenyltetrazol-5-yl)piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
PubChem CID55084372
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC NameN-methyl-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
SMILESCNC1CCCN(c2nnnn2-c2ccccc2)C1
InChIInChI=1S/C13H18N6/c1-14-11-6-5-9-18(10-11)13-15-16-17-19(13)12-7-3-2-4-8-12/h2-4,7-8,11,14H,5-6,9-10H2,1H3
InChIKeyWXEDFEFRIPMLOA-UHFFFAOYSA-N
XLogP0.85
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-phenyltetrazol-5-yl)piperidin-3-ol
CID 18074907
(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 102986512
N-(3,5-dimethoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 133362403
N-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-3-amine;hydrochloride
CID 119920301
1-phenyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]tetrazole
CID 97262694
methyl 2-methyl-2-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]propanoate
CID 133444460
1-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]imidazolidin-2-one
CID 133314224
N-cyclopentyl-1-(1-phenyltetrazol-5-yl)azetidine-3-sulfonamide
CID 122139119
3-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 17418452
N-(6-methyl-2-pyridinyl)-1-(1-phenyltetrazol-5-yl)piperidine-3-carboxamide
CID 47066462
(4aR,8aS)-6-(1-phenyltetrazol-5-yl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 154823989
1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid
CID 122051249

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-phenyltetrazol-5-yl)piperidin-3-amine?
The IUPAC name of N-methyl-1-(1-phenyltetrazol-5-yl)piperidin-3-amine (CID 55084372) is N-methyl-1-(1-phenyltetrazol-5-yl)piperidin-3-amine.
What is the SMILES notation for N-methyl-1-(1-phenyltetrazol-5-yl)piperidin-3-amine?
The canonical SMILES for N-methyl-1-(1-phenyltetrazol-5-yl)piperidin-3-amine is CNC1CCCN(c2nnnn2-c2ccccc2)C1.
What is the InChIKey of N-methyl-1-(1-phenyltetrazol-5-yl)piperidin-3-amine?
The InChIKey is WXEDFEFRIPMLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-14-11-6-5-9-18(10-11)13-15-16-17-19(13)12-7-3-2-4-8-12/h2-4,7-8,11,14H,5-6,9-10H2,1H3.
What are the key properties of N-methyl-1-(1-phenyltetrazol-5-yl)piperidin-3-amine?
N-methyl-1-(1-phenyltetrazol-5-yl)piperidin-3-amine has a molecular weight of 258.33 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-phenyltetrazol-5-yl)piperidin-3-amine is sourced from PubChem (CID 55084372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).