1-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine

C17H24ClFN2 — CID 102862470

IUPAC1-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(Cc2cccc(Cl)c2F)C(C2CC2)CN1
InChIInChI=1S/C17H24ClFN2/c1-11(2)15-10-21(16(8-20-15)12-6-7-12)9-13-4-3-5-14(18)17(13)19/h3-5,11-12,15-16,20H,6-10H2,1-2H3
InChIKeyJEAMKJCVTPBGKB-UHFFFAOYSA-N
MW310.84 g/mol
LogP3.69
Rot. Bonds4

About 1-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine

1-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine (PubChem CID 102862470) has the molecular formula C17H24ClFN2 and a molecular weight of 310.84 g/mol. Its IUPAC name is 1-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine
PubChem CID102862470
Molecular FormulaC17H24ClFN2
Molecular Weight310.84 g/mol
Exact Mass310.16
IUPAC Name1-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(Cc2cccc(Cl)c2F)C(C2CC2)CN1
InChIInChI=1S/C17H24ClFN2/c1-11(2)15-10-21(16(8-20-15)12-6-7-12)9-13-4-3-5-14(18)17(13)19/h3-5,11-12,15-16,20H,6-10H2,1-2H3
InChIKeyJEAMKJCVTPBGKB-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.84
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine
CID 107888494
2-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-5-propan-2-ylpiperazine
CID 64839236
1-[(3-bromophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine
CID 64838844
2,5-dicyclopropyl-1-[(2,3-dichlorophenyl)methyl]piperazine
CID 107310522
1-[(2-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine
CID 64860320
1-[(3-chloro-2-fluorophenyl)methyl]-3,7-dimethyl-1,4-diazepane
CID 102862804
2-cyclopropyl-1-(3-phenylpropyl)-5-propan-2-ylpiperazine
CID 64839240
2-butan-2-yl-1-[(2-chlorophenyl)methyl]-5-propan-2-ylpiperazine
CID 64839619
2-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpiperazine
CID 64838464
1-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 64837878
1-[(2,3-difluorophenyl)methyl]-5-propan-2-yl-2-propylpiperazine
CID 64832129
1-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine
CID 79697666

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine?
The IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine (CID 102862470) is 1-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine?
The canonical SMILES for 1-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine is CC(C)C1CN(Cc2cccc(Cl)c2F)C(C2CC2)CN1.
What is the InChIKey of 1-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine?
The InChIKey is JEAMKJCVTPBGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFN2/c1-11(2)15-10-21(16(8-20-15)12-6-7-12)9-13-4-3-5-14(18)17(13)19/h3-5,11-12,15-16,20H,6-10H2,1-2H3.
What are the key properties of 1-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine?
1-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine has a molecular weight of 310.84 g/mol, XLogP of 3.69, 4 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-cyclopropyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 102862470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).