1-[(3-chlorophenyl)methyl]-4-pyridin-2-ylpiperazine

C16H18ClN3 — CID 765391

IUPAC1-[(3-chlorophenyl)methyl]-4-pyridin-2-ylpiperazine
SMILESClc1cccc(CN2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C16H18ClN3/c17-15-5-3-4-14(12-15)13-19-8-10-20(11-9-19)16-6-1-2-7-18-16/h1-7,12H,8-11,13H2
InChIKeyUXRFFZAXHOIEMS-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.06
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-4-pyridin-2-ylpiperazine

1-[(3-chlorophenyl)methyl]-4-pyridin-2-ylpiperazine (PubChem CID 765391) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-4-pyridin-2-ylpiperazine
PubChem CID765391
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name1-[(3-chlorophenyl)methyl]-4-pyridin-2-ylpiperazine
SMILESClc1cccc(CN2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C16H18ClN3/c17-15-5-3-4-14(12-15)13-19-8-10-20(11-9-19)16-6-1-2-7-18-16/h1-7,12H,8-11,13H2
InChIKeyUXRFFZAXHOIEMS-UHFFFAOYSA-N
XLogP3.06
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-4-pyridin-2-ylpiperazine (CID 765391) is 1-[(3-chlorophenyl)methyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-4-pyridin-2-ylpiperazine is Clc1cccc(CN2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-4-pyridin-2-ylpiperazine?
The InChIKey is UXRFFZAXHOIEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c17-15-5-3-4-14(12-15)13-19-8-10-20(11-9-19)16-6-1-2-7-18-16/h1-7,12H,8-11,13H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-4-pyridin-2-ylpiperazine?
1-[(3-chlorophenyl)methyl]-4-pyridin-2-ylpiperazine has a molecular weight of 287.79 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 765391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).