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

C19H21FN2O — CID 669359

IUPAC(3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C
InChIInChI=1S/C19H21FN2O/c1-14-3-4-16(13-15(14)2)19(23)22-11-9-21(10-12-22)18-7-5-17(20)6-8-18/h3-8,13H,9-12H2,1-2H3
InChIKeyDHXBSCUBNQXRLP-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.40
Rot. Bonds2

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

(3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 669359) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID669359
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name(3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C
InChIInChI=1S/C19H21FN2O/c1-14-3-4-16(13-15(14)2)19(23)22-11-9-21(10-12-22)18-7-5-17(20)6-8-18/h3-8,13H,9-12H2,1-2H3
InChIKeyDHXBSCUBNQXRLP-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

(3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 912606
(3,4-dimethylphenyl)-[4-(4-ethoxyphenyl)piperazin-1-yl]methanone
CID 113077431
(3-bromo-4-methoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46522257
[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-pyrrolidin-1-ylmethanone
CID 109051662
1-(3,4-dimethylphenyl)-4-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]butane-1,4-dione
CID 87042241
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 788974
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
[4-(4-aminophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 9161600
[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 113079614
[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 20906544
(3,4-dimethylphenyl)-[4-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone
CID 53197229
(3,4-dimethylphenyl)-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]methanone
CID 113079974

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 669359) is (3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is DHXBSCUBNQXRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-14-3-4-16(13-15(14)2)19(23)22-11-9-21(10-12-22)18-7-5-17(20)6-8-18/h3-8,13H,9-12H2,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
(3,4-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 (3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 669359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).