1-[(3,4-difluorophenyl)methyl]-3-propan-2-ylpiperazine

C14H20F2N2 — CID 64954315

IUPAC1-[(3,4-difluorophenyl)methyl]-3-propan-2-ylpiperazine
SMILESCC(C)C1CN(Cc2ccc(F)c(F)c2)CCN1
InChIInChI=1S/C14H20F2N2/c1-10(2)14-9-18(6-5-17-14)8-11-3-4-12(15)13(16)7-11/h3-4,7,10,14,17H,5-6,8-9H2,1-2H3
InChIKeyJOZVPSMGLBQUQK-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.39
Rot. Bonds3

About 1-[(3,4-difluorophenyl)methyl]-3-propan-2-ylpiperazine

1-[(3,4-difluorophenyl)methyl]-3-propan-2-ylpiperazine (PubChem CID 64954315) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-3-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-3-propan-2-ylpiperazine
PubChem CID64954315
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-[(3,4-difluorophenyl)methyl]-3-propan-2-ylpiperazine
SMILESCC(C)C1CN(Cc2ccc(F)c(F)c2)CCN1
InChIInChI=1S/C14H20F2N2/c1-10(2)14-9-18(6-5-17-14)8-11-3-4-12(15)13(16)7-11/h3-4,7,10,14,17H,5-6,8-9H2,1-2H3
InChIKeyJOZVPSMGLBQUQK-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazine
CID 64833210
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-propan-2-yl-1,4-diazepane
CID 64858598
3-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 64831824
1-[(5-bromo-2-fluorophenyl)methyl]-3-propan-2-ylpiperazine
CID 64834214
4-[[(3R)-3-propan-2-ylpiperazin-1-yl]methyl]benzoic acid
CID 45073220
1-[(6-methyl-3-pyridinyl)methyl]-3-propan-2-ylpiperazine
CID 64952393
1-[(2-fluoro-4-methoxyphenyl)methyl]-3-propan-2-ylpiperazine
CID 102879444
1-[(4-bromophenyl)methyl]-3-propan-2-yl-1,4-diazepane
CID 64857060
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 55216872
1-[(3-bromo-4-fluorophenyl)methyl]-3-methylpiperazine;hydrochloride
CID 119924261
1-[(3-bromo-5-fluorophenyl)methyl]-3-propan-2-yl-1,4-diazepane
CID 79711387
3-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 64857823

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3-propan-2-ylpiperazine?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3-propan-2-ylpiperazine (CID 64954315) is 1-[(3,4-difluorophenyl)methyl]-3-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-3-propan-2-ylpiperazine?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-3-propan-2-ylpiperazine is CC(C)C1CN(Cc2ccc(F)c(F)c2)CCN1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-3-propan-2-ylpiperazine?
The InChIKey is JOZVPSMGLBQUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-10(2)14-9-18(6-5-17-14)8-11-3-4-12(15)13(16)7-11/h3-4,7,10,14,17H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-3-propan-2-ylpiperazine?
1-[(3,4-difluorophenyl)methyl]-3-propan-2-ylpiperazine has a molecular weight of 254.32 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-3-propan-2-ylpiperazine is sourced from PubChem (CID 64954315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).