1-[3-[2-(difluoromethoxy)naphthalen-1-yl]propyl]-4-methylpiperazine

C19H24F2N2O — CID 170863557

IUPAC1-[3-[2-(difluoromethoxy)naphthalen-1-yl]propyl]-4-methylpiperazine
SMILESCN1CCN(CCCc2c(OC(F)F)ccc3ccccc23)CC1
InChIInChI=1S/C19H24F2N2O/c1-22-11-13-23(14-12-22)10-4-7-17-16-6-3-2-5-15(16)8-9-18(17)24-19(20)21/h2-3,5-6,8-9,19H,4,7,10-14H2,1H3
InChIKeyYZDWNQMXDRNDDB-UHFFFAOYSA-N
MW334.41 g/mol
LogP3.62
Rot. Bonds6

About 1-[3-[2-(difluoromethoxy)naphthalen-1-yl]propyl]-4-methylpiperazine

1-[3-[2-(difluoromethoxy)naphthalen-1-yl]propyl]-4-methylpiperazine (PubChem CID 170863557) has the molecular formula C19H24F2N2O and a molecular weight of 334.41 g/mol. Its IUPAC name is 1-[3-[2-(difluoromethoxy)naphthalen-1-yl]propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-[2-(difluoromethoxy)naphthalen-1-yl]propyl]-4-methylpiperazine
PubChem CID170863557
Molecular FormulaC19H24F2N2O
Molecular Weight334.41 g/mol
Exact Mass334.19
IUPAC Name1-[3-[2-(difluoromethoxy)naphthalen-1-yl]propyl]-4-methylpiperazine
SMILESCN1CCN(CCCc2c(OC(F)F)ccc3ccccc23)CC1
InChIInChI=1S/C19H24F2N2O/c1-22-11-13-23(14-12-22)10-4-7-17-16-6-3-2-5-15(16)8-9-18(17)24-19(20)21/h2-3,5-6,8-9,19H,4,7,10-14H2,1H3
InChIKeyYZDWNQMXDRNDDB-UHFFFAOYSA-N
XLogP3.62
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(2-ethoxynaphthalen-1-yl)propyl]morpholine
CID 170869209
[2-(difluoromethoxy)naphthalen-1-yl]methanol
CID 43394581
1-[2-(4-methylpiperazin-1-yl)ethyl]naphthalen-2-ol
CID 175567947
2-[[2-(difluoromethoxy)naphthalen-1-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906708
1-[2-(difluoromethoxy)naphthalen-1-yl]butan-2-amine
CID 54928850
3-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]propan-1-amine
CID 54855934
1-[2-(difluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 16780971
2-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864109
2-(difluoromethoxy)naphthalen-1-amine;ethane
CID 142518734
1-[[2-(difluoromethoxy)naphthalen-1-yl]methyl]piperidine-3-carboxylic acid
CID 122040798
1-methyl-2-(3-methylphenoxy)-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864366
1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine
CID 170863059

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(difluoromethoxy)naphthalen-1-yl]propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-[2-(difluoromethoxy)naphthalen-1-yl]propyl]-4-methylpiperazine (CID 170863557) is 1-[3-[2-(difluoromethoxy)naphthalen-1-yl]propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-[2-(difluoromethoxy)naphthalen-1-yl]propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-[2-(difluoromethoxy)naphthalen-1-yl]propyl]-4-methylpiperazine is CN1CCN(CCCc2c(OC(F)F)ccc3ccccc23)CC1.
What is the InChIKey of 1-[3-[2-(difluoromethoxy)naphthalen-1-yl]propyl]-4-methylpiperazine?
The InChIKey is YZDWNQMXDRNDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O/c1-22-11-13-23(14-12-22)10-4-7-17-16-6-3-2-5-15(16)8-9-18(17)24-19(20)21/h2-3,5-6,8-9,19H,4,7,10-14H2,1H3.
What are the key properties of 1-[3-[2-(difluoromethoxy)naphthalen-1-yl]propyl]-4-methylpiperazine?
1-[3-[2-(difluoromethoxy)naphthalen-1-yl]propyl]-4-methylpiperazine has a molecular weight of 334.41 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(difluoromethoxy)naphthalen-1-yl]propyl]-4-methylpiperazine is sourced from PubChem (CID 170863557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).