[1-[4-(4-methylpiperidin-1-yl)phenyl]tetrazol-5-yl]methanamine

C14H20N6 — CID 82227869

IUPAC[1-[4-(4-methylpiperidin-1-yl)phenyl]tetrazol-5-yl]methanamine
SMILESCC1CCN(c2ccc(-n3nnnc3CN)cc2)CC1
InChIInChI=1S/C14H20N6/c1-11-6-8-19(9-7-11)12-2-4-13(5-3-12)20-14(10-15)16-17-18-20/h2-5,11H,6-10,15H2,1H3
InChIKeySPGVCXWTRNRRLJ-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.36
Rot. Bonds3

About [1-[4-(4-methylpiperidin-1-yl)phenyl]tetrazol-5-yl]methanamine

[1-[4-(4-methylpiperidin-1-yl)phenyl]tetrazol-5-yl]methanamine (PubChem CID 82227869) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is [1-[4-(4-methylpiperidin-1-yl)phenyl]tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-[4-(4-methylpiperidin-1-yl)phenyl]tetrazol-5-yl]methanamine
PubChem CID82227869
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name[1-[4-(4-methylpiperidin-1-yl)phenyl]tetrazol-5-yl]methanamine
SMILESCC1CCN(c2ccc(-n3nnnc3CN)cc2)CC1
InChIInChI=1S/C14H20N6/c1-11-6-8-19(9-7-11)12-2-4-13(5-3-12)20-14(10-15)16-17-18-20/h2-5,11H,6-10,15H2,1H3
InChIKeySPGVCXWTRNRRLJ-UHFFFAOYSA-N
XLogP1.36
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[1-[4-(4-methylpiperidin-1-yl)phenyl]triazol-4-yl]methanamine
CID 82199390
[1-(4-chlorophenyl)tetrazol-5-yl]methanamine;hydrochloride
CID 71779054
3-[1-(4-piperidin-1-ylphenyl)tetrazol-5-yl]propan-1-amine
CID 82228110
[1-(4-ethoxyphenyl)tetrazol-5-yl]methanamine;hydrochloride
CID 119106406
4-methyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 60672744
1-(4-methylcyclohexyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 63243666
[1-(3-chloro-4-methoxyphenyl)tetrazol-5-yl]methanamine
CID 62737585
[1-(2,6-dimethylphenyl)tetrazol-5-yl]methanamine
CID 62736812
1-[4-(4-methylpiperidin-1-yl)phenyl]propan-2-amine
CID 63786073
[1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]methanamine
CID 107579309
ethane;4-methyl-1-phenylpiperidine
CID 143180672
[3-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119926252

Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-methylpiperidin-1-yl)phenyl]tetrazol-5-yl]methanamine?
The IUPAC name of [1-[4-(4-methylpiperidin-1-yl)phenyl]tetrazol-5-yl]methanamine (CID 82227869) is [1-[4-(4-methylpiperidin-1-yl)phenyl]tetrazol-5-yl]methanamine.
What is the SMILES notation for [1-[4-(4-methylpiperidin-1-yl)phenyl]tetrazol-5-yl]methanamine?
The canonical SMILES for [1-[4-(4-methylpiperidin-1-yl)phenyl]tetrazol-5-yl]methanamine is CC1CCN(c2ccc(-n3nnnc3CN)cc2)CC1.
What is the InChIKey of [1-[4-(4-methylpiperidin-1-yl)phenyl]tetrazol-5-yl]methanamine?
The InChIKey is SPGVCXWTRNRRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-11-6-8-19(9-7-11)12-2-4-13(5-3-12)20-14(10-15)16-17-18-20/h2-5,11H,6-10,15H2,1H3.
What are the key properties of [1-[4-(4-methylpiperidin-1-yl)phenyl]tetrazol-5-yl]methanamine?
[1-[4-(4-methylpiperidin-1-yl)phenyl]tetrazol-5-yl]methanamine has a molecular weight of 272.36 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-methylpiperidin-1-yl)phenyl]tetrazol-5-yl]methanamine is sourced from PubChem (CID 82227869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).