(3R)-1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperazine

C12H16ClFN2 — CID 103885963

IUPAC(3R)-1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperazine
SMILESC[C@@H]1CN(Cc2cccc(Cl)c2F)CCN1
InChIInChI=1S/C12H16ClFN2/c1-9-7-16(6-5-15-9)8-10-3-2-4-11(13)12(10)14/h2-4,9,15H,5-8H2,1H3/t9-/m1/s1
InChIKeyZJZKTCGYEJCGOT-SECBINFHSA-N
MW242.72 g/mol
LogP2.27
Rot. Bonds2

About (3R)-1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperazine

(3R)-1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperazine (PubChem CID 103885963) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is (3R)-1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperazine
PubChem CID103885963
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC Name(3R)-1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperazine
SMILESC[C@@H]1CN(Cc2cccc(Cl)c2F)CCN1
InChIInChI=1S/C12H16ClFN2/c1-9-7-16(6-5-15-9)8-10-3-2-4-11(13)12(10)14/h2-4,9,15H,5-8H2,1H3/t9-/m1/s1
InChIKeyZJZKTCGYEJCGOT-SECBINFHSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-fluoro-3-methylphenyl)methyl]-3-methylpiperazine
CID 83811096
1-[(3-chloro-2-fluorophenyl)methyl]-3-phenylpiperazine
CID 102862405
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine
CID 83811098
1-[(3-chloro-2-fluorophenyl)methyl]-3,7-dimethyl-1,4-diazepane
CID 102862804
(3S)-1-[(3-chloro-2-ethoxyphenyl)methyl]-3-methylpiperazine;hydrochloride
CID 120845844
(3R)-1-[(5-chloro-2-fluorophenyl)methyl]-3-methylpiperazine
CID 96916148
3-chloro-2-[(3-methylpiperazin-1-yl)methyl]phenol
CID 114321095
1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperidin-4-one
CID 102855971
(3R)-1-[(3-fluoro-2-methoxyphenyl)methyl]-3-methylpiperazine
CID 167713386
(3R)-1-[(2,3-dimethylphenyl)methyl]-3-methylpiperazine
CID 96906172
(3R)-1-[(2,3-dichloro-4-fluorophenyl)methyl]-3-methylpiperazine;hydrochloride
CID 120845594
(3S)-1-[(2-ethyl-6-fluorophenyl)methyl]-3-methylpiperazine
CID 120845888

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperazine?
The IUPAC name of (3R)-1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperazine (CID 103885963) is (3R)-1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperazine.
What is the SMILES notation for (3R)-1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperazine?
The canonical SMILES for (3R)-1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperazine is C[C@@H]1CN(Cc2cccc(Cl)c2F)CCN1.
What is the InChIKey of (3R)-1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperazine?
The InChIKey is ZJZKTCGYEJCGOT-SECBINFHSA-N. The full InChI is InChI=1S/C12H16ClFN2/c1-9-7-16(6-5-15-9)8-10-3-2-4-11(13)12(10)14/h2-4,9,15H,5-8H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperazine?
(3R)-1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperazine has a molecular weight of 242.72 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperazine is sourced from PubChem (CID 103885963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).