1-(4-fluoro-2-methoxyphenyl)-3-propan-2-ylpiperazine

C14H21FN2O — CID 64951915

IUPAC1-(4-fluoro-2-methoxyphenyl)-3-propan-2-ylpiperazine
SMILESCOc1cc(F)ccc1N1CCNC(C(C)C)C1
InChIInChI=1S/C14H21FN2O/c1-10(2)12-9-17(7-6-16-12)13-5-4-11(15)8-14(13)18-3/h4-5,8,10,12,16H,6-7,9H2,1-3H3
InChIKeyYFDUPZSGOQIRQB-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.27
Rot. Bonds3

About 1-(4-fluoro-2-methoxyphenyl)-3-propan-2-ylpiperazine

1-(4-fluoro-2-methoxyphenyl)-3-propan-2-ylpiperazine (PubChem CID 64951915) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-(4-fluoro-2-methoxyphenyl)-3-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(4-fluoro-2-methoxyphenyl)-3-propan-2-ylpiperazine
PubChem CID64951915
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-(4-fluoro-2-methoxyphenyl)-3-propan-2-ylpiperazine
SMILESCOc1cc(F)ccc1N1CCNC(C(C)C)C1
InChIInChI=1S/C14H21FN2O/c1-10(2)12-9-17(7-6-16-12)13-5-4-11(15)8-14(13)18-3/h4-5,8,10,12,16H,6-7,9H2,1-3H3
InChIKeyYFDUPZSGOQIRQB-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-3-propan-2-ylpiperazine?
The IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-3-propan-2-ylpiperazine (CID 64951915) is 1-(4-fluoro-2-methoxyphenyl)-3-propan-2-ylpiperazine.
What is the SMILES notation for 1-(4-fluoro-2-methoxyphenyl)-3-propan-2-ylpiperazine?
The canonical SMILES for 1-(4-fluoro-2-methoxyphenyl)-3-propan-2-ylpiperazine is COc1cc(F)ccc1N1CCNC(C(C)C)C1.
What is the InChIKey of 1-(4-fluoro-2-methoxyphenyl)-3-propan-2-ylpiperazine?
The InChIKey is YFDUPZSGOQIRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(2)12-9-17(7-6-16-12)13-5-4-11(15)8-14(13)18-3/h4-5,8,10,12,16H,6-7,9H2,1-3H3.
What are the key properties of 1-(4-fluoro-2-methoxyphenyl)-3-propan-2-ylpiperazine?
1-(4-fluoro-2-methoxyphenyl)-3-propan-2-ylpiperazine has a molecular weight of 252.33 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methoxyphenyl)-3-propan-2-ylpiperazine is sourced from PubChem (CID 64951915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).