3-(2-chloro-6-fluorophenyl)-1-methylpiperazine

C11H14ClFN2 — CID 82288330

IUPAC3-(2-chloro-6-fluorophenyl)-1-methylpiperazine
SMILESCN1CCNC(c2c(F)cccc2Cl)C1
InChIInChI=1S/C11H14ClFN2/c1-15-6-5-14-10(7-15)11-8(12)3-2-4-9(11)13/h2-4,10,14H,5-7H2,1H3
InChIKeyKVPXIDDRYPDLHB-UHFFFAOYSA-N
MW228.70 g/mol
LogP2.06
Rot. Bonds1

About 3-(2-chloro-6-fluorophenyl)-1-methylpiperazine

3-(2-chloro-6-fluorophenyl)-1-methylpiperazine (PubChem CID 82288330) has the molecular formula C11H14ClFN2 and a molecular weight of 228.70 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-1-methylpiperazine.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-1-methylpiperazine
PubChem CID82288330
Molecular FormulaC11H14ClFN2
Molecular Weight228.70 g/mol
Exact Mass228.08
IUPAC Name3-(2-chloro-6-fluorophenyl)-1-methylpiperazine
SMILESCN1CCNC(c2c(F)cccc2Cl)C1
InChIInChI=1S/C11H14ClFN2/c1-15-6-5-14-10(7-15)11-8(12)3-2-4-9(11)13/h2-4,10,14H,5-7H2,1H3
InChIKeyKVPXIDDRYPDLHB-UHFFFAOYSA-N
XLogP2.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-chloro-6-fluorophenyl)piperidine;hydrochloride
CID 171194835
2-(4-methylpiperazin-2-yl)phenol
CID 83445266
1-methyl-3-(2,4,6-trimethylphenyl)piperazine
CID 82114107
3-(6-chloro-3-pyridinyl)-1-methylpiperazine
CID 131537539
1-methyl-3-(2-methyl-1-benzofuran-3-yl)piperazine
CID 116987398
[(3S,4R)-4-(2-chloro-6-fluorophenyl)-1-methylpyrrolidin-3-yl]-(4-fluorophenyl)methanone
CID 51416244
4-(4-methylpiperazin-2-yl)aniline
CID 66617407
4-(2-chloro-6-fluorophenyl)imidazolidin-2-one
CID 130148791
1-methyl-3-(1-methylpyrrol-3-yl)piperazine
CID 82280749
ethane;1-[3-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 142506906
(3R)-1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperazine
CID 103885963
5-(3-chlorophenyl)-1-methyl-1,4-diazepane
CID 82287491

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-1-methylpiperazine?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-1-methylpiperazine (CID 82288330) is 3-(2-chloro-6-fluorophenyl)-1-methylpiperazine.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-1-methylpiperazine?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-1-methylpiperazine is CN1CCNC(c2c(F)cccc2Cl)C1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-1-methylpiperazine?
The InChIKey is KVPXIDDRYPDLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2/c1-15-6-5-14-10(7-15)11-8(12)3-2-4-9(11)13/h2-4,10,14H,5-7H2,1H3.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-1-methylpiperazine?
3-(2-chloro-6-fluorophenyl)-1-methylpiperazine has a molecular weight of 228.70 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-1-methylpiperazine is sourced from PubChem (CID 82288330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).