1-[3-(4-fluorophenoxy)propyl]-4-(5-methyl-2-pyridinyl)piperazine

C19H24FN3O — CID 90644061

IUPAC1-[3-(4-fluorophenoxy)propyl]-4-(5-methyl-2-pyridinyl)piperazine
SMILESCc1ccc(N2CCN(CCCOc3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C19H24FN3O/c1-16-3-8-19(21-15-16)23-12-10-22(11-13-23)9-2-14-24-18-6-4-17(20)5-7-18/h3-8,15H,2,9-14H2,1H3
InChIKeyVFOLOUVNAQBRDB-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.12
Rot. Bonds6

About 1-[3-(4-fluorophenoxy)propyl]-4-(5-methyl-2-pyridinyl)piperazine

1-[3-(4-fluorophenoxy)propyl]-4-(5-methyl-2-pyridinyl)piperazine (PubChem CID 90644061) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-[3-(4-fluorophenoxy)propyl]-4-(5-methyl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-[3-(4-fluorophenoxy)propyl]-4-(5-methyl-2-pyridinyl)piperazine
PubChem CID90644061
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name1-[3-(4-fluorophenoxy)propyl]-4-(5-methyl-2-pyridinyl)piperazine
SMILESCc1ccc(N2CCN(CCCOc3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C19H24FN3O/c1-16-3-8-19(21-15-16)23-12-10-22(11-13-23)9-2-14-24-18-6-4-17(20)5-7-18/h3-8,15H,2,9-14H2,1H3
InChIKeyVFOLOUVNAQBRDB-UHFFFAOYSA-N
XLogP3.12
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Pyrilamine
CID 4992
Pyrilamine hydrochloride
CID 80139
Rbi 257
CID 5041
1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-pyridin-2-yl-piperazine
CID 10474042
Thiourea, N-(2-(2-ethoxy-6-fluorophenyl)ethyl)-N'-(5-methyl-2-pyridinyl)-
CID 3001123
U 101958
CID 5615
1-[3-(5-Methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)-propyl]-4-pyridin-2-yl-piperazine
CID 10248163
N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]pyridin-2-amine
CID 9880373
cis-1-(4-(3-Methoxyphenyl)cyclohexyl)-4-(pyridin-2-yl)piperazine
CID 10020855
cis-1-(4-(2-Methoxyphenyl)cyclohexyl)-4-(pyridin-2-yl)piperazine
CID 10871856
Orm-13070
CID 46209194
2-[(2-Methylaminoethyl)(P-Methoxybenzyl)Amino]Pyridine
CID 153224

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenoxy)propyl]-4-(5-methyl-2-pyridinyl)piperazine?
The IUPAC name of 1-[3-(4-fluorophenoxy)propyl]-4-(5-methyl-2-pyridinyl)piperazine (CID 90644061) is 1-[3-(4-fluorophenoxy)propyl]-4-(5-methyl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-[3-(4-fluorophenoxy)propyl]-4-(5-methyl-2-pyridinyl)piperazine?
The canonical SMILES for 1-[3-(4-fluorophenoxy)propyl]-4-(5-methyl-2-pyridinyl)piperazine is Cc1ccc(N2CCN(CCCOc3ccc(F)cc3)CC2)nc1.
What is the InChIKey of 1-[3-(4-fluorophenoxy)propyl]-4-(5-methyl-2-pyridinyl)piperazine?
The InChIKey is VFOLOUVNAQBRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-16-3-8-19(21-15-16)23-12-10-22(11-13-23)9-2-14-24-18-6-4-17(20)5-7-18/h3-8,15H,2,9-14H2,1H3.
What are the key properties of 1-[3-(4-fluorophenoxy)propyl]-4-(5-methyl-2-pyridinyl)piperazine?
1-[3-(4-fluorophenoxy)propyl]-4-(5-methyl-2-pyridinyl)piperazine has a molecular weight of 329.42 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenoxy)propyl]-4-(5-methyl-2-pyridinyl)piperazine is sourced from PubChem (CID 90644061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).