1-(2-phenylethyl)-4-pyridin-2-ylpiperazine

C17H21N3 — CID 11000026

IUPAC1-(2-phenylethyl)-4-pyridin-2-ylpiperazine
SMILESc1ccc(CCN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C17H21N3/c1-2-6-16(7-3-1)9-11-19-12-14-20(15-13-19)17-8-4-5-10-18-17/h1-8,10H,9,11-15H2
InChIKeyLQCYBWKPUXERHX-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.45
Rot. Bonds4

About 1-(2-phenylethyl)-4-pyridin-2-ylpiperazine

1-(2-phenylethyl)-4-pyridin-2-ylpiperazine (PubChem CID 11000026) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-(2-phenylethyl)-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-(2-phenylethyl)-4-pyridin-2-ylpiperazine
PubChem CID11000026
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name1-(2-phenylethyl)-4-pyridin-2-ylpiperazine
SMILESc1ccc(CCN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C17H21N3/c1-2-6-16(7-3-1)9-11-19-12-14-20(15-13-19)17-8-4-5-10-18-17/h1-8,10H,9,11-15H2
InChIKeyLQCYBWKPUXERHX-UHFFFAOYSA-N
XLogP2.45
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Azaperone
CID 15443
Tripelennamine
CID 5587
Blonanserin
CID 125564
Mirtazapine
CID 4205
Tripelennamine Hydrochloride
CID 9066
Chloropyramine
CID 25295
Chloropyramine Hydrochloride
CID 80311
2-(Benzylamino)pyridine
CID 23362
1-(2-Pyridyl)piperazine
CID 94459
WZ 811
CID 11565518
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
5-Phenyl-2-pyridinamine
CID 105097

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-(2-phenylethyl)-4-pyridin-2-ylpiperazine (CID 11000026) is 1-(2-phenylethyl)-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-(2-phenylethyl)-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-(2-phenylethyl)-4-pyridin-2-ylpiperazine is c1ccc(CCN2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 1-(2-phenylethyl)-4-pyridin-2-ylpiperazine?
The InChIKey is LQCYBWKPUXERHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-2-6-16(7-3-1)9-11-19-12-14-20(15-13-19)17-8-4-5-10-18-17/h1-8,10H,9,11-15H2.
What are the key properties of 1-(2-phenylethyl)-4-pyridin-2-ylpiperazine?
1-(2-phenylethyl)-4-pyridin-2-ylpiperazine has a molecular weight of 267.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 11000026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).