(3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C19H21FN2O — CID 912606

IUPAC(3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1cc(C)cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H21FN2O/c1-14-11-15(2)13-16(12-14)19(23)22-9-7-21(8-10-22)18-5-3-17(20)4-6-18/h3-6,11-13H,7-10H2,1-2H3
InChIKeyMJDAWPYQZITJMT-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.40
Rot. Bonds2

About (3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

(3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 912606) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID912606
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name(3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1cc(C)cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H21FN2O/c1-14-11-15(2)13-16(12-14)19(23)22-9-7-21(8-10-22)18-5-3-17(20)4-6-18/h3-6,11-13H,7-10H2,1-2H3
InChIKeyMJDAWPYQZITJMT-UHFFFAOYSA-N
XLogP3.40
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 669359
(3,5-dimethylphenyl)-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 46076122
[4-(4-aminophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 9161600
(3,5-dihydroxyphenyl)-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methanone
CID 86801395
[4-(4-fluorophenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110762669
[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-pyrrolidin-1-ylmethanone
CID 109051662
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
(2-chloro-4-methylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 100520261
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-4-yl]methanone
CID 126023047
[4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113075595
(2,5-dimethyl-1H-pyrrol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 110766155
(2,5-dimethylthiophen-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 9207325

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 912606) is (3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is Cc1cc(C)cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of (3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is MJDAWPYQZITJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-14-11-15(2)13-16(12-14)19(23)22-9-7-21(8-10-22)18-5-3-17(20)4-6-18/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of (3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
(3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 312.39 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 912606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).