3-[4-[cyclopropyl(difluoro)methyl]phenyl]-1-methylpiperazine

C15H20F2N2 — CID 116992387

IUPAC3-[4-[cyclopropyl(difluoro)methyl]phenyl]-1-methylpiperazine
SMILESCN1CCNC(c2ccc(C(F)(F)C3CC3)cc2)C1
InChIInChI=1S/C15H20F2N2/c1-19-9-8-18-14(10-19)11-2-4-12(5-3-11)15(16,17)13-6-7-13/h2-5,13-14,18H,6-10H2,1H3
InChIKeyFEPKVFPLLQRPOF-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.76
Rot. Bonds3

About 3-[4-[cyclopropyl(difluoro)methyl]phenyl]-1-methylpiperazine

3-[4-[cyclopropyl(difluoro)methyl]phenyl]-1-methylpiperazine (PubChem CID 116992387) has the molecular formula C15H20F2N2 and a molecular weight of 266.33 g/mol. Its IUPAC name is 3-[4-[cyclopropyl(difluoro)methyl]phenyl]-1-methylpiperazine.

Molecular Properties

Compound Name3-[4-[cyclopropyl(difluoro)methyl]phenyl]-1-methylpiperazine
PubChem CID116992387
Molecular FormulaC15H20F2N2
Molecular Weight266.33 g/mol
Exact Mass266.16
IUPAC Name3-[4-[cyclopropyl(difluoro)methyl]phenyl]-1-methylpiperazine
SMILESCN1CCNC(c2ccc(C(F)(F)C3CC3)cc2)C1
InChIInChI=1S/C15H20F2N2/c1-19-9-8-18-14(10-19)11-2-4-12(5-3-11)15(16,17)13-6-7-13/h2-5,13-14,18H,6-10H2,1H3
InChIKeyFEPKVFPLLQRPOF-UHFFFAOYSA-N
XLogP2.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methylpiperazin-2-yl)aniline
CID 66617407
5-(4-tert-butylphenyl)-1-methyl-1,4-diazepane
CID 82295508
1-methyl-3-(1-methylpyrrol-3-yl)piperazine
CID 82280749
3-(6-chloro-3-pyridinyl)-1-methylpiperazine
CID 131537539
1-methyl-5-(4-methylphenyl)-1,4-diazepane
CID 82282903
(3R)-1-methyl-3-phenyl-1,4-diazepane
CID 94983002
1-methyl-3-phenylpiperazine;2,2,2-trifluoro-1-(1-methyl-3-phenylpiperazin-2-yl)ethanone
CID 160794599
3-[4-[cyclopropyl(difluoro)methyl]phenyl]azetidine
CID 116992338
3-[4-[cyclopropyl(difluoro)methyl]phenyl]pyrrolidine
CID 116992340
1-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine
CID 59060023
3-(3,4-diethoxyphenyl)-1-methylpiperazine
CID 116989258
3-(4-methoxy-3-propan-2-ylphenyl)-1-methylpiperazine
CID 82118990

Frequently Asked Questions

What is the IUPAC name of 3-[4-[cyclopropyl(difluoro)methyl]phenyl]-1-methylpiperazine?
The IUPAC name of 3-[4-[cyclopropyl(difluoro)methyl]phenyl]-1-methylpiperazine (CID 116992387) is 3-[4-[cyclopropyl(difluoro)methyl]phenyl]-1-methylpiperazine.
What is the SMILES notation for 3-[4-[cyclopropyl(difluoro)methyl]phenyl]-1-methylpiperazine?
The canonical SMILES for 3-[4-[cyclopropyl(difluoro)methyl]phenyl]-1-methylpiperazine is CN1CCNC(c2ccc(C(F)(F)C3CC3)cc2)C1.
What is the InChIKey of 3-[4-[cyclopropyl(difluoro)methyl]phenyl]-1-methylpiperazine?
The InChIKey is FEPKVFPLLQRPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2/c1-19-9-8-18-14(10-19)11-2-4-12(5-3-11)15(16,17)13-6-7-13/h2-5,13-14,18H,6-10H2,1H3.
What are the key properties of 3-[4-[cyclopropyl(difluoro)methyl]phenyl]-1-methylpiperazine?
3-[4-[cyclopropyl(difluoro)methyl]phenyl]-1-methylpiperazine has a molecular weight of 266.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[cyclopropyl(difluoro)methyl]phenyl]-1-methylpiperazine is sourced from PubChem (CID 116992387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).