1-[4-(4-chlorophenyl)-2-pyridinyl]piperazine

C15H16ClN3 — CID 171059987

IUPAC1-[4-(4-chlorophenyl)-2-pyridinyl]piperazine
SMILESClc1ccc(-c2ccnc(N3CCNCC3)c2)cc1
InChIInChI=1S/C15H16ClN3/c16-14-3-1-12(2-4-14)13-5-6-18-15(11-13)19-9-7-17-8-10-19/h1-6,11,17H,7-10H2
InChIKeyRLJOUWCZAOOLEB-UHFFFAOYSA-N
MW273.77 g/mol
LogP2.81
Rot. Bonds2

About 1-[4-(4-chlorophenyl)-2-pyridinyl]piperazine

1-[4-(4-chlorophenyl)-2-pyridinyl]piperazine (PubChem CID 171059987) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-2-pyridinyl]piperazine
PubChem CID171059987
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name1-[4-(4-chlorophenyl)-2-pyridinyl]piperazine
SMILESClc1ccc(-c2ccnc(N3CCNCC3)c2)cc1
InChIInChI=1S/C15H16ClN3/c16-14-3-1-12(2-4-14)13-5-6-18-15(11-13)19-9-7-17-8-10-19/h1-6,11,17H,7-10H2
InChIKeyRLJOUWCZAOOLEB-UHFFFAOYSA-N
XLogP2.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[4-(4-chlorophenyl)-2-pyridinyl]piperazine (CID 171059987) is 1-[4-(4-chlorophenyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[4-(4-chlorophenyl)-2-pyridinyl]piperazine is Clc1ccc(-c2ccnc(N3CCNCC3)c2)cc1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-2-pyridinyl]piperazine?
The InChIKey is RLJOUWCZAOOLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c16-14-3-1-12(2-4-14)13-5-6-18-15(11-13)19-9-7-17-8-10-19/h1-6,11,17H,7-10H2.
What are the key properties of 1-[4-(4-chlorophenyl)-2-pyridinyl]piperazine?
1-[4-(4-chlorophenyl)-2-pyridinyl]piperazine has a molecular weight of 273.77 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 171059987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).