1-ethyl-N-[4-(triazol-2-yl)phenyl]piperidin-4-amine

C15H21N5 — CID 43740311

IUPAC1-ethyl-N-[4-(triazol-2-yl)phenyl]piperidin-4-amine
SMILESCCN1CCC(Nc2ccc(-n3nccn3)cc2)CC1
InChIInChI=1S/C15H21N5/c1-2-19-11-7-14(8-12-19)18-13-3-5-15(6-4-13)20-16-9-10-17-20/h3-6,9-10,14,18H,2,7-8,11-12H2,1H3
InChIKeyOZXHEWKVXMLNNX-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.16
Rot. Bonds4

About 1-ethyl-N-[4-(triazol-2-yl)phenyl]piperidin-4-amine

1-ethyl-N-[4-(triazol-2-yl)phenyl]piperidin-4-amine (PubChem CID 43740311) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 1-ethyl-N-[4-(triazol-2-yl)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[4-(triazol-2-yl)phenyl]piperidin-4-amine
PubChem CID43740311
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name1-ethyl-N-[4-(triazol-2-yl)phenyl]piperidin-4-amine
SMILESCCN1CCC(Nc2ccc(-n3nccn3)cc2)CC1
InChIInChI=1S/C15H21N5/c1-2-19-11-7-14(8-12-19)18-13-3-5-15(6-4-13)20-16-9-10-17-20/h3-6,9-10,14,18H,2,7-8,11-12H2,1H3
InChIKeyOZXHEWKVXMLNNX-UHFFFAOYSA-N
XLogP2.16
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[4-(triazol-2-yl)phenyl]piperidin-4-amine?
The IUPAC name of 1-ethyl-N-[4-(triazol-2-yl)phenyl]piperidin-4-amine (CID 43740311) is 1-ethyl-N-[4-(triazol-2-yl)phenyl]piperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-[4-(triazol-2-yl)phenyl]piperidin-4-amine?
The canonical SMILES for 1-ethyl-N-[4-(triazol-2-yl)phenyl]piperidin-4-amine is CCN1CCC(Nc2ccc(-n3nccn3)cc2)CC1.
What is the InChIKey of 1-ethyl-N-[4-(triazol-2-yl)phenyl]piperidin-4-amine?
The InChIKey is OZXHEWKVXMLNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-2-19-11-7-14(8-12-19)18-13-3-5-15(6-4-13)20-16-9-10-17-20/h3-6,9-10,14,18H,2,7-8,11-12H2,1H3.
What are the key properties of 1-ethyl-N-[4-(triazol-2-yl)phenyl]piperidin-4-amine?
1-ethyl-N-[4-(triazol-2-yl)phenyl]piperidin-4-amine has a molecular weight of 271.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[4-(triazol-2-yl)phenyl]piperidin-4-amine is sourced from PubChem (CID 43740311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).