(3-fluoro-4-methylphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone

C19H21FN2O — CID 31113066

IUPAC(3-fluoro-4-methylphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccccc3C)CC2)cc1F
InChIInChI=1S/C19H21FN2O/c1-14-7-8-16(13-17(14)20)19(23)22-11-9-21(10-12-22)18-6-4-3-5-15(18)2/h3-8,13H,9-12H2,1-2H3
InChIKeyNTXLIRNUMKDDHH-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.40
Rot. Bonds2

About (3-fluoro-4-methylphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone

(3-fluoro-4-methylphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone (PubChem CID 31113066) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
PubChem CID31113066
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name(3-fluoro-4-methylphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccccc3C)CC2)cc1F
InChIInChI=1S/C19H21FN2O/c1-14-7-8-16(13-17(14)20)19(23)22-11-9-21(10-12-22)18-6-4-3-5-15(18)2/h3-8,13H,9-12H2,1-2H3
InChIKeyNTXLIRNUMKDDHH-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-difluorophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 9151566
(4-methyl-3-nitrophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 9151572
[4-(2-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 589575
(3-bromophenyl)-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone
CID 55878769
(3-fluoro-4-methylphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone
CID 133371548
(3-fluoro-4-methylphenyl)-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]methanone
CID 55879541
[4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 18147919
(3,4-dimethylphenyl)-[4-(2-ethylphenyl)piperazin-1-yl]methanone
CID 113075800
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 2097236
[4-(2-methylphenyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 40676851
2,3-dihydro-1,4-benzodioxin-3-yl-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone
CID 51231675
(3-fluoro-4-methylphenyl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 9092139

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-methylphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone (CID 31113066) is (3-fluoro-4-methylphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-methylphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(c3ccccc3C)CC2)cc1F.
What is the InChIKey of (3-fluoro-4-methylphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is NTXLIRNUMKDDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-14-7-8-16(13-17(14)20)19(23)22-11-9-21(10-12-22)18-6-4-3-5-15(18)2/h3-8,13H,9-12H2,1-2H3.
What are the key properties of (3-fluoro-4-methylphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
(3-fluoro-4-methylphenyl)-[4-(2-methylphenyl)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-fluoro-4-methylphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 31113066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).