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

C16H22ClFN2 — CID 102862743

IUPAC1-[(3-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
SMILESCC1(C)CNC(C2CC2)CN1Cc1cccc(Cl)c1F
InChIInChI=1S/C16H22ClFN2/c1-16(2)10-19-14(11-6-7-11)9-20(16)8-12-4-3-5-13(17)15(12)18/h3-5,11,14,19H,6-10H2,1-2H3
InChIKeySSKOAIFKMZZKFS-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.44
Rot. Bonds3

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

1-[(3-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine (PubChem CID 102862743) has the molecular formula C16H22ClFN2 and a molecular weight of 296.82 g/mol. Its IUPAC name is 1-[(3-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine.

Molecular Properties

Compound Name1-[(3-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
PubChem CID102862743
Molecular FormulaC16H22ClFN2
Molecular Weight296.82 g/mol
Exact Mass296.15
IUPAC Name1-[(3-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
SMILESCC1(C)CNC(C2CC2)CN1Cc1cccc(Cl)c1F
InChIInChI=1S/C16H22ClFN2/c1-16(2)10-19-14(11-6-7-11)9-20(16)8-12-4-3-5-13(17)15(12)18/h3-5,11,14,19H,6-10H2,1-2H3
InChIKeySSKOAIFKMZZKFS-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 64860914
1-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine
CID 102862525
1-[(4-chloro-3-fluorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 107888690
1-[(2-chloro-3-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-2-methylpiperazine
CID 115984472
5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2,2-dimethylpiperazine
CID 64861102
1-[(3-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 64859758
1-[(3-chloro-2-fluorophenyl)methyl]-2,2-diethyl-5-methylpiperazine
CID 102862439
1-[(2-chloro-6-fluorophenyl)methyl]-2,2,5-trimethylpiperazine
CID 64843935
1-[(3-chloro-2-fluorophenyl)methyl]-3,7-dimethyl-1,4-diazepane
CID 102862804
(4aS,7aS)-6-[(3-chloro-2-fluorophenyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 103887157
(3R)-1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperazine
CID 103885963
1-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethyl-5-propylpiperazine
CID 64838030

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine?
The IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine (CID 102862743) is 1-[(3-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine.
What is the SMILES notation for 1-[(3-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine?
The canonical SMILES for 1-[(3-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine is CC1(C)CNC(C2CC2)CN1Cc1cccc(Cl)c1F.
What is the InChIKey of 1-[(3-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine?
The InChIKey is SSKOAIFKMZZKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2/c1-16(2)10-19-14(11-6-7-11)9-20(16)8-12-4-3-5-13(17)15(12)18/h3-5,11,14,19H,6-10H2,1-2H3.
What are the key properties of 1-[(3-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine?
1-[(3-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine has a molecular weight of 296.82 g/mol, XLogP of 3.44, 3 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]-5-cyclopropyl-2,2-dimethylpiperazine is sourced from PubChem (CID 102862743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).