1-(3-Phenylpropyl)-4-(2-pyridinyl)piperazine

C18H23N3 — CID 667735

IUPAC1-(3-phenylpropyl)-4-pyridin-2-ylpiperazine
SMILESC1CN(CCN1CCCC2=CC=CC=C2)C3=CC=CC=N3
InChIInChI=1S/C18H23N3/c1-2-7-17(8-3-1)9-6-12-20-13-15-21(16-14-20)18-10-4-5-11-19-18/h1-5,7-8,10-11H,6,9,12-16H2
InChIKeyQCVDHRLSVUSYNT-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.80
Rot. Bonds5

About 1-(3-Phenylpropyl)-4-(2-pyridinyl)piperazine

1-(3-Phenylpropyl)-4-(2-pyridinyl)piperazine (PubChem CID 667735) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(3-phenylpropyl)-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-(3-Phenylpropyl)-4-(2-pyridinyl)piperazine
PubChem CID667735
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name1-(3-phenylpropyl)-4-pyridin-2-ylpiperazine
SMILESC1CN(CCN1CCCC2=CC=CC=C2)C3=CC=CC=N3
InChIInChI=1S/C18H23N3/c1-2-7-17(8-3-1)9-6-12-20-13-15-21(16-14-20)18-10-4-5-11-19-18/h1-5,7-8,10-11H,6,9,12-16H2
InChIKeyQCVDHRLSVUSYNT-UHFFFAOYSA-N
XLogP3.80
TPSA19.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity280

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.80
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-(3-Phenylpropyl)-4-(2-pyridinyl)piperazine?
The IUPAC name of 1-(3-Phenylpropyl)-4-(2-pyridinyl)piperazine (CID 667735) is 1-(3-phenylpropyl)-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-(3-Phenylpropyl)-4-(2-pyridinyl)piperazine?
The canonical SMILES for 1-(3-Phenylpropyl)-4-(2-pyridinyl)piperazine is C1CN(CCN1CCCC2=CC=CC=C2)C3=CC=CC=N3.
What is the InChIKey of 1-(3-Phenylpropyl)-4-(2-pyridinyl)piperazine?
The InChIKey is QCVDHRLSVUSYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-2-7-17(8-3-1)9-6-12-20-13-15-21(16-14-20)18-10-4-5-11-19-18/h1-5,7-8,10-11H,6,9,12-16H2.
What are the key properties of 1-(3-Phenylpropyl)-4-(2-pyridinyl)piperazine?
1-(3-Phenylpropyl)-4-(2-pyridinyl)piperazine has a molecular weight of 281.40 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-Phenylpropyl)-4-(2-pyridinyl)piperazine is sourced from PubChem (CID 667735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).