1-[(3-chloro-2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine

C14H20ClFN2 — CID 102862477

IUPAC1-[(3-chloro-2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine
SMILESCC1CNC(C)(C)CN1Cc1cccc(Cl)c1F
InChIInChI=1S/C14H20ClFN2/c1-10-7-17-14(2,3)9-18(10)8-11-5-4-6-12(15)13(11)16/h4-6,10,17H,7-9H2,1-3H3
InChIKeyOOACABWEANIJBQ-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.05
Rot. Bonds2

About 1-[(3-chloro-2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine

1-[(3-chloro-2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine (PubChem CID 102862477) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 1-[(3-chloro-2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine.

Molecular Properties

Compound Name1-[(3-chloro-2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine
PubChem CID102862477
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name1-[(3-chloro-2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine
SMILESCC1CNC(C)(C)CN1Cc1cccc(Cl)c1F
InChIInChI=1S/C14H20ClFN2/c1-10-7-17-14(2,3)9-18(10)8-11-5-4-6-12(15)13(11)16/h4-6,10,17H,7-9H2,1-3H3
InChIKeyOOACABWEANIJBQ-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperazine
CID 95212246
1-[(2,3-dichlorophenyl)methyl]-3,3,7-trimethyl-1,4-diazepane
CID 107310541
9-[(2,3-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 64877544
1-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 102862613
1-[(4-iodophenyl)methyl]-2,5,5-trimethylpiperazine
CID 65491363
4-[(2,3-difluorophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64876835
1-[(3-chloro-2-fluorophenyl)methyl]-3,7-dimethyl-1,4-diazepane
CID 102862804
1-[(2,3-dichlorophenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine
CID 107310470
2-tert-butyl-1-[(2-chlorophenyl)methyl]-5,5-dimethylpiperazine
CID 64839733
5-cyclopropyl-1-[(2-fluorophenyl)methyl]-2,5-dimethylpiperazine
CID 64875570
1-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781953
1-[(3-chloro-2-fluorophenyl)methyl]piperazine-2-carboxylic acid
CID 114488257

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine?
The IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine (CID 102862477) is 1-[(3-chloro-2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine.
What is the SMILES notation for 1-[(3-chloro-2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine?
The canonical SMILES for 1-[(3-chloro-2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine is CC1CNC(C)(C)CN1Cc1cccc(Cl)c1F.
What is the InChIKey of 1-[(3-chloro-2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine?
The InChIKey is OOACABWEANIJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-10-7-17-14(2,3)9-18(10)8-11-5-4-6-12(15)13(11)16/h4-6,10,17H,7-9H2,1-3H3.
What are the key properties of 1-[(3-chloro-2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine?
1-[(3-chloro-2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine has a molecular weight of 270.78 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine is sourced from PubChem (CID 102862477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).