(2-fluorocyclohexa-2,4-dien-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

C14H21FN2O — CID 59744090

IUPAC(2-fluorocyclohexa-2,4-dien-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2CC=CC=C2F)CC1
InChIInChI=1S/C14H21FN2O/c1-11(2)16-7-9-17(10-8-16)14(18)12-5-3-4-6-13(12)15/h3-4,6,11-12H,5,7-10H2,1-2H3
InChIKeyMIZWCNBNDMTKPJ-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.97
Rot. Bonds2

About (2-fluorocyclohexa-2,4-dien-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

(2-fluorocyclohexa-2,4-dien-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 59744090) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is (2-fluorocyclohexa-2,4-dien-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-fluorocyclohexa-2,4-dien-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID59744090
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name(2-fluorocyclohexa-2,4-dien-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2CC=CC=C2F)CC1
InChIInChI=1S/C14H21FN2O/c1-11(2)16-7-9-17(10-8-16)14(18)12-5-3-4-6-13(12)15/h3-4,6,11-12H,5,7-10H2,1-2H3
InChIKeyMIZWCNBNDMTKPJ-UHFFFAOYSA-N
XLogP1.97
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-fluorocyclohexa-2,4-dien-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-fluorocyclohexa-2,4-dien-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (CID 59744090) is (2-fluorocyclohexa-2,4-dien-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-fluorocyclohexa-2,4-dien-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-fluorocyclohexa-2,4-dien-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)C2CC=CC=C2F)CC1.
What is the InChIKey of (2-fluorocyclohexa-2,4-dien-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is MIZWCNBNDMTKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-11(2)16-7-9-17(10-8-16)14(18)12-5-3-4-6-13(12)15/h3-4,6,11-12H,5,7-10H2,1-2H3.
What are the key properties of (2-fluorocyclohexa-2,4-dien-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
(2-fluorocyclohexa-2,4-dien-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 252.33 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorocyclohexa-2,4-dien-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 59744090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).