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

C18H27FN2 — CID 64877110

IUPAC5-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C)(C2CC2)CN1Cc1ccccc1F
InChIInChI=1S/C18H27FN2/c1-13(2)17-10-20-18(3,15-8-9-15)12-21(17)11-14-6-4-5-7-16(14)19/h4-7,13,15,17,20H,8-12H2,1-3H3
InChIKeyWWLDFHZIMXSUGJ-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.42
Rot. Bonds4

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

5-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylpiperazine (PubChem CID 64877110) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is 5-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
PubChem CID64877110
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name5-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C)(C2CC2)CN1Cc1ccccc1F
InChIInChI=1S/C18H27FN2/c1-13(2)17-10-20-18(3,15-8-9-15)12-21(17)11-14-6-4-5-7-16(14)19/h4-7,13,15,17,20H,8-12H2,1-3H3
InChIKeyWWLDFHZIMXSUGJ-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromophenyl)methyl]-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine
CID 64877485
5-cyclopropyl-1-[(2-fluorophenyl)methyl]-2,5-dimethylpiperazine
CID 64875570
3-cyclopropyl-1-[(2-fluorophenyl)methyl]-3,7-dimethyl-1,4-diazepane
CID 64870220
5-cyclopropyl-5-methyl-1-[(3-methylphenyl)methyl]-2-propan-2-ylpiperazine
CID 64876545
5-cyclopropyl-5-methyl-1-[(6-methyl-3-pyridinyl)methyl]-2-propan-2-ylpiperazine
CID 64941949
5-ethyl-1-[2-(2-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
CID 64931798
5-cyclopropyl-1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64931009
1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2,5-dimethylpiperazine
CID 64877865
5-tert-butyl-1-[(2-fluorophenyl)methyl]-2-propan-2-ylpiperazine
CID 64843383
5-cyclopropyl-5-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine
CID 64934750
5-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-2,5-dimethylpiperazine
CID 64945697
1-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 102862613

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 5-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylpiperazine (CID 64877110) is 5-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylpiperazine is CC(C)C1CNC(C)(C2CC2)CN1Cc1ccccc1F.
What is the InChIKey of 5-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is WWLDFHZIMXSUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-13(2)17-10-20-18(3,15-8-9-15)12-21(17)11-14-6-4-5-7-16(14)19/h4-7,13,15,17,20H,8-12H2,1-3H3.
What are the key properties of 5-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylpiperazine?
5-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 290.43 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64877110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).