1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2-methylpiperazine

C15H19BrF2N2 — CID 106273265

IUPAC1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2-methylpiperazine
SMILESCC1(C2CC2)CNCCN1Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H19BrF2N2/c1-15(10-2-3-10)9-19-6-7-20(15)8-11-13(17)5-4-12(16)14(11)18/h4-5,10,19H,2-3,6-9H2,1H3
InChIKeyGUACGHXKXWBMPR-UHFFFAOYSA-N
MW345.23 g/mol
LogP3.30
Rot. Bonds3

About 1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2-methylpiperazine

1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2-methylpiperazine (PubChem CID 106273265) has the molecular formula C15H19BrF2N2 and a molecular weight of 345.23 g/mol. Its IUPAC name is 1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2-methylpiperazine.

Molecular Properties

Compound Name1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2-methylpiperazine
PubChem CID106273265
Molecular FormulaC15H19BrF2N2
Molecular Weight345.23 g/mol
Exact Mass344.07
IUPAC Name1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2-methylpiperazine
SMILESCC1(C2CC2)CNCCN1Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H19BrF2N2/c1-15(10-2-3-10)9-19-6-7-20(15)8-11-13(17)5-4-12(16)14(11)18/h4-5,10,19H,2-3,6-9H2,1H3
InChIKeyGUACGHXKXWBMPR-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2,5-dimethylpiperazine
CID 106273284
2-cyclopropyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine
CID 65491560
3-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylazetidine
CID 106273157
2-[(3-bromo-2,6-difluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120908051
1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylpiperidine
CID 114166432
1-[(3-bromo-2,6-difluorophenyl)methyl]-4-methylsulfanylpiperidine
CID 114237818
1-[(3-bromo-2,6-difluorophenyl)methyl]-3-ethyl-3-methyl-1,4-diazepane
CID 106273530
2-(3-bromo-2,6-difluorophenyl)-1-(3-methylpiperidin-3-yl)ethanone
CID 114166834
1-[(3-bromo-2,6-difluorophenyl)methyl]piperazine-2-carboxamide
CID 106264875
1-[(3-bromo-2,6-difluorophenyl)methyl]-3-ethylpiperazin-2-one
CID 106270822
1-[1-[(3-bromo-2,6-difluorophenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 120842678
1-[(3-bromo-2,6-difluorophenyl)methyl]pyrrolidin-3-amine
CID 106264844

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2-methylpiperazine?
The IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2-methylpiperazine (CID 106273265) is 1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2-methylpiperazine.
What is the SMILES notation for 1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2-methylpiperazine?
The canonical SMILES for 1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2-methylpiperazine is CC1(C2CC2)CNCCN1Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2-methylpiperazine?
The InChIKey is GUACGHXKXWBMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrF2N2/c1-15(10-2-3-10)9-19-6-7-20(15)8-11-13(17)5-4-12(16)14(11)18/h4-5,10,19H,2-3,6-9H2,1H3.
What are the key properties of 1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2-methylpiperazine?
1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2-methylpiperazine has a molecular weight of 345.23 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2-methylpiperazine is sourced from PubChem (CID 106273265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).