1-phenyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-amine

C19H22N6 — CID 122571990

IUPAC1-phenyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-amine
SMILESc1ccc(N2CCC(NCc3cccc(-c4nn[nH]n4)c3)CC2)cc1
InChIInChI=1S/C19H22N6/c1-2-7-18(8-3-1)25-11-9-17(10-12-25)20-14-15-5-4-6-16(13-15)19-21-23-24-22-19/h1-8,13,17,20H,9-12,14H2,(H,21,22,23,24)
InChIKeyLDIFWNWYDYCCEX-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.63
Rot. Bonds5

About 1-phenyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-amine

1-phenyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-amine (PubChem CID 122571990) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 1-phenyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-phenyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-amine
PubChem CID122571990
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name1-phenyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-amine
SMILESc1ccc(N2CCC(NCc3cccc(-c4nn[nH]n4)c3)CC2)cc1
InChIInChI=1S/C19H22N6/c1-2-7-18(8-3-1)25-11-9-17(10-12-25)20-14-15-5-4-6-16(13-15)19-21-23-24-22-19/h1-8,13,17,20H,9-12,14H2,(H,21,22,23,24)
InChIKeyLDIFWNWYDYCCEX-UHFFFAOYSA-N
XLogP2.63
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-amine?
The IUPAC name of 1-phenyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-amine (CID 122571990) is 1-phenyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-phenyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for 1-phenyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-amine is c1ccc(N2CCC(NCc3cccc(-c4nn[nH]n4)c3)CC2)cc1.
What is the InChIKey of 1-phenyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-amine?
The InChIKey is LDIFWNWYDYCCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-2-7-18(8-3-1)25-11-9-17(10-12-25)20-14-15-5-4-6-16(13-15)19-21-23-24-22-19/h1-8,13,17,20H,9-12,14H2,(H,21,22,23,24).
What are the key properties of 1-phenyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-amine?
1-phenyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-amine has a molecular weight of 334.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 122571990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).