1-(3-phenylbutyl)-4-pyridin-2-ylpiperazine

C19H25N3 — CID 2845974

IUPAC1-(3-phenylbutyl)-4-pyridin-2-ylpiperazine
SMILESCC(CCN1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C19H25N3/c1-17(18-7-3-2-4-8-18)10-12-21-13-15-22(16-14-21)19-9-5-6-11-20-19/h2-9,11,17H,10,12-16H2,1H3
InChIKeyFCKZFVZCXHEJDA-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.40
Rot. Bonds5

About 1-(3-phenylbutyl)-4-pyridin-2-ylpiperazine

1-(3-phenylbutyl)-4-pyridin-2-ylpiperazine (PubChem CID 2845974) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-(3-phenylbutyl)-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-(3-phenylbutyl)-4-pyridin-2-ylpiperazine
PubChem CID2845974
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name1-(3-phenylbutyl)-4-pyridin-2-ylpiperazine
SMILESCC(CCN1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C19H25N3/c1-17(18-7-3-2-4-8-18)10-12-21-13-15-22(16-14-21)19-9-5-6-11-20-19/h2-9,11,17H,10,12-16H2,1H3
InChIKeyFCKZFVZCXHEJDA-UHFFFAOYSA-N
XLogP3.40
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylbutyl)-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-(3-phenylbutyl)-4-pyridin-2-ylpiperazine (CID 2845974) is 1-(3-phenylbutyl)-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-(3-phenylbutyl)-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-(3-phenylbutyl)-4-pyridin-2-ylpiperazine is CC(CCN1CCN(c2ccccn2)CC1)c1ccccc1.
What is the InChIKey of 1-(3-phenylbutyl)-4-pyridin-2-ylpiperazine?
The InChIKey is FCKZFVZCXHEJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-17(18-7-3-2-4-8-18)10-12-21-13-15-22(16-14-21)19-9-5-6-11-20-19/h2-9,11,17H,10,12-16H2,1H3.
What are the key properties of 1-(3-phenylbutyl)-4-pyridin-2-ylpiperazine?
1-(3-phenylbutyl)-4-pyridin-2-ylpiperazine has a molecular weight of 295.43 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylbutyl)-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 2845974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).