1-[2-[4-(4-butyltriazol-1-yl)phenyl]ethyl]piperidine

C19H28N4 — CID 72736020

IUPAC1-[2-[4-(4-butyltriazol-1-yl)phenyl]ethyl]piperidine
SMILESCCCCc1cn(-c2ccc(CCN3CCCCC3)cc2)nn1
InChIInChI=1S/C19H28N4/c1-2-3-7-18-16-23(21-20-18)19-10-8-17(9-11-19)12-15-22-13-5-4-6-14-22/h8-11,16H,2-7,12-15H2,1H3
InChIKeyWXUACJFPSCRVFO-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.64
Rot. Bonds7

About 1-[2-[4-(4-butyltriazol-1-yl)phenyl]ethyl]piperidine

1-[2-[4-(4-butyltriazol-1-yl)phenyl]ethyl]piperidine (PubChem CID 72736020) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-[2-[4-(4-butyltriazol-1-yl)phenyl]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[4-(4-butyltriazol-1-yl)phenyl]ethyl]piperidine
PubChem CID72736020
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name1-[2-[4-(4-butyltriazol-1-yl)phenyl]ethyl]piperidine
SMILESCCCCc1cn(-c2ccc(CCN3CCCCC3)cc2)nn1
InChIInChI=1S/C19H28N4/c1-2-3-7-18-16-23(21-20-18)19-10-8-17(9-11-19)12-15-22-13-5-4-6-14-22/h8-11,16H,2-7,12-15H2,1H3
InChIKeyWXUACJFPSCRVFO-UHFFFAOYSA-N
XLogP3.64
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-butyltriazol-1-yl)phenyl]ethyl]piperidine?
The IUPAC name of 1-[2-[4-(4-butyltriazol-1-yl)phenyl]ethyl]piperidine (CID 72736020) is 1-[2-[4-(4-butyltriazol-1-yl)phenyl]ethyl]piperidine.
What is the SMILES notation for 1-[2-[4-(4-butyltriazol-1-yl)phenyl]ethyl]piperidine?
The canonical SMILES for 1-[2-[4-(4-butyltriazol-1-yl)phenyl]ethyl]piperidine is CCCCc1cn(-c2ccc(CCN3CCCCC3)cc2)nn1.
What is the InChIKey of 1-[2-[4-(4-butyltriazol-1-yl)phenyl]ethyl]piperidine?
The InChIKey is WXUACJFPSCRVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-2-3-7-18-16-23(21-20-18)19-10-8-17(9-11-19)12-15-22-13-5-4-6-14-22/h8-11,16H,2-7,12-15H2,1H3.
What are the key properties of 1-[2-[4-(4-butyltriazol-1-yl)phenyl]ethyl]piperidine?
1-[2-[4-(4-butyltriazol-1-yl)phenyl]ethyl]piperidine has a molecular weight of 312.46 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-butyltriazol-1-yl)phenyl]ethyl]piperidine is sourced from PubChem (CID 72736020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).