1-(4-chlorophenyl)-4-[3-(1,2,4-triazol-1-yl)cyclopentyl]piperazine

C17H22ClN5 — CID 142700481

IUPAC1-(4-chlorophenyl)-4-[3-(1,2,4-triazol-1-yl)cyclopentyl]piperazine
SMILESClc1ccc(N2CCN(C3CCC(n4cncn4)C3)CC2)cc1
InChIInChI=1S/C17H22ClN5/c18-14-1-3-15(4-2-14)21-7-9-22(10-8-21)16-5-6-17(11-16)23-13-19-12-20-23/h1-4,12-13,16-17H,5-11H2
InChIKeyRLRCSIDPQDRXLS-UHFFFAOYSA-N
MW331.85 g/mol
LogP2.85
Rot. Bonds3

About 1-(4-chlorophenyl)-4-[3-(1,2,4-triazol-1-yl)cyclopentyl]piperazine

1-(4-chlorophenyl)-4-[3-(1,2,4-triazol-1-yl)cyclopentyl]piperazine (PubChem CID 142700481) has the molecular formula C17H22ClN5 and a molecular weight of 331.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[3-(1,2,4-triazol-1-yl)cyclopentyl]piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[3-(1,2,4-triazol-1-yl)cyclopentyl]piperazine
PubChem CID142700481
Molecular FormulaC17H22ClN5
Molecular Weight331.85 g/mol
Exact Mass331.16
IUPAC Name1-(4-chlorophenyl)-4-[3-(1,2,4-triazol-1-yl)cyclopentyl]piperazine
SMILESClc1ccc(N2CCN(C3CCC(n4cncn4)C3)CC2)cc1
InChIInChI=1S/C17H22ClN5/c18-14-1-3-15(4-2-14)21-7-9-22(10-8-21)16-5-6-17(11-16)23-13-19-12-20-23/h1-4,12-13,16-17H,5-11H2
InChIKeyRLRCSIDPQDRXLS-UHFFFAOYSA-N
XLogP2.85
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[3-(1,2,4-triazol-1-yl)cyclopentyl]piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-[3-(1,2,4-triazol-1-yl)cyclopentyl]piperazine (CID 142700481) is 1-(4-chlorophenyl)-4-[3-(1,2,4-triazol-1-yl)cyclopentyl]piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[3-(1,2,4-triazol-1-yl)cyclopentyl]piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-[3-(1,2,4-triazol-1-yl)cyclopentyl]piperazine is Clc1ccc(N2CCN(C3CCC(n4cncn4)C3)CC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[3-(1,2,4-triazol-1-yl)cyclopentyl]piperazine?
The InChIKey is RLRCSIDPQDRXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5/c18-14-1-3-15(4-2-14)21-7-9-22(10-8-21)16-5-6-17(11-16)23-13-19-12-20-23/h1-4,12-13,16-17H,5-11H2.
What are the key properties of 1-(4-chlorophenyl)-4-[3-(1,2,4-triazol-1-yl)cyclopentyl]piperazine?
1-(4-chlorophenyl)-4-[3-(1,2,4-triazol-1-yl)cyclopentyl]piperazine has a molecular weight of 331.85 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[3-(1,2,4-triazol-1-yl)cyclopentyl]piperazine is sourced from PubChem (CID 142700481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).