3-[1-(4-piperidin-1-ylphenyl)tetrazol-5-yl]propan-1-amine

C15H22N6 — CID 82228110

IUPAC3-[1-(4-piperidin-1-ylphenyl)tetrazol-5-yl]propan-1-amine
SMILESNCCCc1nnnn1-c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C15H22N6/c16-10-4-5-15-17-18-19-21(15)14-8-6-13(7-9-14)20-11-2-1-3-12-20/h6-9H,1-5,10-12,16H2
InChIKeyPFZFFZGEOQVLJV-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.54
Rot. Bonds5

About 3-[1-(4-piperidin-1-ylphenyl)tetrazol-5-yl]propan-1-amine

3-[1-(4-piperidin-1-ylphenyl)tetrazol-5-yl]propan-1-amine (PubChem CID 82228110) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[1-(4-piperidin-1-ylphenyl)tetrazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(4-piperidin-1-ylphenyl)tetrazol-5-yl]propan-1-amine
PubChem CID82228110
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name3-[1-(4-piperidin-1-ylphenyl)tetrazol-5-yl]propan-1-amine
SMILESNCCCc1nnnn1-c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C15H22N6/c16-10-4-5-15-17-18-19-21(15)14-8-6-13(7-9-14)20-11-2-1-3-12-20/h6-9H,1-5,10-12,16H2
InChIKeyPFZFFZGEOQVLJV-UHFFFAOYSA-N
XLogP1.54
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.54
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

4-[5-(3-aminopropyl)tetrazol-1-yl]benzenesulfonamide
CID 82228095
3-[4-(azepan-1-yl)phenyl]propan-1-amine
CID 28806979
3-[5-(3-aminopropyl)tetrazol-1-yl]phenol
CID 82228068
3-[1-(3,5-dichlorophenyl)tetrazol-5-yl]propan-1-amine
CID 82228072
3-[1-(3-bromo-4-methylphenyl)tetrazol-5-yl]propan-1-amine
CID 82228118
[1-[4-(4-methylpiperidin-1-yl)phenyl]tetrazol-5-yl]methanamine
CID 82227869
2-(1-phenyltetrazol-5-yl)ethanamine
CID 64981210
3-[1-(3,4-diethoxyphenyl)tetrazol-5-yl]propan-1-amine
CID 82228131
[5-butyl-1-(4-piperidin-1-ylphenyl)triazol-4-yl]methanamine
CID 94939043
[1-(4-chlorophenyl)tetrazol-5-yl]methanamine;hydrochloride
CID 71779054
1-[(1-phenyltetrazol-5-yl)methyl]azepane
CID 47010715
3-(1-naphthalen-1-yltetrazol-5-yl)propan-1-amine
CID 82228115

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-piperidin-1-ylphenyl)tetrazol-5-yl]propan-1-amine?
The IUPAC name of 3-[1-(4-piperidin-1-ylphenyl)tetrazol-5-yl]propan-1-amine (CID 82228110) is 3-[1-(4-piperidin-1-ylphenyl)tetrazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(4-piperidin-1-ylphenyl)tetrazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[1-(4-piperidin-1-ylphenyl)tetrazol-5-yl]propan-1-amine is NCCCc1nnnn1-c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 3-[1-(4-piperidin-1-ylphenyl)tetrazol-5-yl]propan-1-amine?
The InChIKey is PFZFFZGEOQVLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c16-10-4-5-15-17-18-19-21(15)14-8-6-13(7-9-14)20-11-2-1-3-12-20/h6-9H,1-5,10-12,16H2.
What are the key properties of 3-[1-(4-piperidin-1-ylphenyl)tetrazol-5-yl]propan-1-amine?
3-[1-(4-piperidin-1-ylphenyl)tetrazol-5-yl]propan-1-amine has a molecular weight of 286.38 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-piperidin-1-ylphenyl)tetrazol-5-yl]propan-1-amine is sourced from PubChem (CID 82228110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).