(2-fluoro-5-methylphenyl)-(4-propylpiperazin-1-yl)methanone

C15H21FN2O — CID 62508835

IUPAC(2-fluoro-5-methylphenyl)-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2cc(C)ccc2F)CC1
InChIInChI=1S/C15H21FN2O/c1-3-6-17-7-9-18(10-8-17)15(19)13-11-12(2)4-5-14(13)16/h4-5,11H,3,6-10H2,1-2H3
InChIKeyKPEBQDOYRNOIEM-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.30
Rot. Bonds3

About (2-fluoro-5-methylphenyl)-(4-propylpiperazin-1-yl)methanone

(2-fluoro-5-methylphenyl)-(4-propylpiperazin-1-yl)methanone (PubChem CID 62508835) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)-(4-propylpiperazin-1-yl)methanone
PubChem CID62508835
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name(2-fluoro-5-methylphenyl)-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2cc(C)ccc2F)CC1
InChIInChI=1S/C15H21FN2O/c1-3-6-17-7-9-18(10-8-17)15(19)13-11-12(2)4-5-14(13)16/h4-5,11H,3,6-10H2,1-2H3
InChIKeyKPEBQDOYRNOIEM-UHFFFAOYSA-N
XLogP2.30
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-aminoethyl)piperazin-1-yl]-(2-fluoro-5-methylphenyl)methanone
CID 62515821
azetidin-1-yl-(2-fluoro-5-methylphenyl)methanone
CID 118296976
(4-ethylpiperazin-1-yl)-(2-fluoro-4-methylphenyl)methanone
CID 70215264
2-[4-(2-fluoro-5-methylbenzoyl)piperazin-1-yl]propanoic acid
CID 62516519
(2-fluoro-5-methylphenyl)-piperazin-1-ylmethanone
CID 62514775
ethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone
CID 145081702
(5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 60675583
(2-fluoro-5-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 62510549
(2-fluoro-5-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62509275
4-(2-fluoro-5-methylbenzoyl)-1-methylpiperazin-2-one
CID 64680512
(4-butylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 113072774
8-azaspiro[4.5]decan-8-yl-(2-fluoro-5-methylphenyl)methanone
CID 63159253

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)-(4-propylpiperazin-1-yl)methanone?
The IUPAC name of (2-fluoro-5-methylphenyl)-(4-propylpiperazin-1-yl)methanone (CID 62508835) is (2-fluoro-5-methylphenyl)-(4-propylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-fluoro-5-methylphenyl)-(4-propylpiperazin-1-yl)methanone?
The canonical SMILES for (2-fluoro-5-methylphenyl)-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)c2cc(C)ccc2F)CC1.
What is the InChIKey of (2-fluoro-5-methylphenyl)-(4-propylpiperazin-1-yl)methanone?
The InChIKey is KPEBQDOYRNOIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-3-6-17-7-9-18(10-8-17)15(19)13-11-12(2)4-5-14(13)16/h4-5,11H,3,6-10H2,1-2H3.
What are the key properties of (2-fluoro-5-methylphenyl)-(4-propylpiperazin-1-yl)methanone?
(2-fluoro-5-methylphenyl)-(4-propylpiperazin-1-yl)methanone has a molecular weight of 264.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methylphenyl)-(4-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 62508835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).