1-propyl-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine

C16H23N5 — CID 86792930

IUPAC1-propyl-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine
SMILESCCCN1CCC(Nc2ccc(-n3ccnn3)cc2)CC1
InChIInChI=1S/C16H23N5/c1-2-10-20-11-7-15(8-12-20)18-14-3-5-16(6-4-14)21-13-9-17-19-21/h3-6,9,13,15,18H,2,7-8,10-12H2,1H3
InChIKeyBSABXVHOGGLOCN-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.55
Rot. Bonds5

About 1-propyl-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine

1-propyl-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine (PubChem CID 86792930) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-propyl-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-propyl-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine
PubChem CID86792930
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name1-propyl-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine
SMILESCCCN1CCC(Nc2ccc(-n3ccnn3)cc2)CC1
InChIInChI=1S/C16H23N5/c1-2-10-20-11-7-15(8-12-20)18-14-3-5-16(6-4-14)21-13-9-17-19-21/h3-6,9,13,15,18H,2,7-8,10-12H2,1H3
InChIKeyBSABXVHOGGLOCN-UHFFFAOYSA-N
XLogP2.55
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine?
The IUPAC name of 1-propyl-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine (CID 86792930) is 1-propyl-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine.
What is the SMILES notation for 1-propyl-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine?
The canonical SMILES for 1-propyl-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine is CCCN1CCC(Nc2ccc(-n3ccnn3)cc2)CC1.
What is the InChIKey of 1-propyl-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine?
The InChIKey is BSABXVHOGGLOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-2-10-20-11-7-15(8-12-20)18-14-3-5-16(6-4-14)21-13-9-17-19-21/h3-6,9,13,15,18H,2,7-8,10-12H2,1H3.
What are the key properties of 1-propyl-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine?
1-propyl-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine is sourced from PubChem (CID 86792930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).