(3-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone

C15H21FN2O — CID 82246689

IUPAC(3-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CC1CN(C(=O)c2cccc(F)c2)CCN1
InChIInChI=1S/C15H21FN2O/c1-11(2)8-14-10-18(7-6-17-14)15(19)12-4-3-5-13(16)9-12/h3-5,9,11,14,17H,6-8,10H2,1-2H3
InChIKeyNTRNOTGDIYRFBT-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.29
Rot. Bonds3

About (3-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone

(3-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 82246689) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is (3-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID82246689
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name(3-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CC1CN(C(=O)c2cccc(F)c2)CCN1
InChIInChI=1S/C15H21FN2O/c1-11(2)8-14-10-18(7-6-17-14)15(19)12-4-3-5-13(16)9-12/h3-5,9,11,14,17H,6-8,10H2,1-2H3
InChIKeyNTRNOTGDIYRFBT-UHFFFAOYSA-N
XLogP2.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-difluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 82249342
(2-chloro-6-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 82252121
furan-2-yl-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 82243423
(2-methoxyphenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 82248431
3-(2-methylpropyl)piperazine-1-carboxamide
CID 90242604
(3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261910
(3-fluorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662297
N,N-dimethyl-3-(2-methylpropyl)piperazine-1-carboxamide
CID 82241726
benzyl (3R)-3-(2-methylpropyl)piperazine-1-carboxylate;hydrochloride
CID 45072616
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119710258
(3-hydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426598
(2R)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]butanoic acid
CID 129401472

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone (CID 82246689) is (3-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone is CC(C)CC1CN(C(=O)c2cccc(F)c2)CCN1.
What is the InChIKey of (3-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is NTRNOTGDIYRFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11(2)8-14-10-18(7-6-17-14)15(19)12-4-3-5-13(16)9-12/h3-5,9,11,14,17H,6-8,10H2,1-2H3.
What are the key properties of (3-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone?
(3-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 264.34 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 82246689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).