1-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine

C12H16N6 — CID 69185635

IUPAC1-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine
SMILESNC1CCN(c2ccc(-n3cnnn3)cc2)CC1
InChIInChI=1S/C12H16N6/c13-10-5-7-17(8-6-10)11-1-3-12(4-2-11)18-9-14-15-16-18/h1-4,9-10H,5-8,13H2
InChIKeyGOWUIJAQTJDNEC-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.59
Rot. Bonds2

About 1-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine

1-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine (PubChem CID 69185635) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine
PubChem CID69185635
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name1-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine
SMILESNC1CCN(c2ccc(-n3cnnn3)cc2)CC1
InChIInChI=1S/C12H16N6/c13-10-5-7-17(8-6-10)11-1-3-12(4-2-11)18-9-14-15-16-18/h1-4,9-10H,5-8,13H2
InChIKeyGOWUIJAQTJDNEC-UHFFFAOYSA-N
XLogP0.59
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.59
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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Frequently Asked Questions

What is the IUPAC name of 1-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine?
The IUPAC name of 1-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine (CID 69185635) is 1-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine.
What is the SMILES notation for 1-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine?
The canonical SMILES for 1-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine is NC1CCN(c2ccc(-n3cnnn3)cc2)CC1.
What is the InChIKey of 1-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine?
The InChIKey is GOWUIJAQTJDNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c13-10-5-7-17(8-6-10)11-1-3-12(4-2-11)18-9-14-15-16-18/h1-4,9-10H,5-8,13H2.
What are the key properties of 1-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine?
1-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine has a molecular weight of 244.30 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine is sourced from PubChem (CID 69185635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).