1-[2-[3-methoxy-2-(5-propylnaphthalen-1-yl)phenyl]ethyl]-3-(trifluoromethyl)piperidine

C28H32F3NO — CID 177032913

IUPAC1-[2-[3-methoxy-2-(5-propylnaphthalen-1-yl)phenyl]ethyl]-3-(trifluoromethyl)piperidine
SMILESCCCc1cccc2c(-c3c(CCN4CCCC(C(F)(F)F)C4)cccc3OC)cccc12
InChIInChI=1S/C28H32F3NO/c1-3-8-20-9-4-13-24-23(20)12-6-14-25(24)27-21(10-5-15-26(27)33-2)16-18-32-17-7-11-22(19-32)28(29,30)31/h4-6,9-10,12-15,22H,3,7-8,11,16-19H2,1-2H3
InChIKeyKAMWMCVOGZUKAU-UHFFFAOYSA-N
MW455.56 g/mol
LogP7.28
Rot. Bonds7

About 1-[2-[3-methoxy-2-(5-propylnaphthalen-1-yl)phenyl]ethyl]-3-(trifluoromethyl)piperidine

1-[2-[3-methoxy-2-(5-propylnaphthalen-1-yl)phenyl]ethyl]-3-(trifluoromethyl)piperidine (PubChem CID 177032913) has the molecular formula C28H32F3NO and a molecular weight of 455.56 g/mol. Its IUPAC name is 1-[2-[3-methoxy-2-(5-propylnaphthalen-1-yl)phenyl]ethyl]-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[2-[3-methoxy-2-(5-propylnaphthalen-1-yl)phenyl]ethyl]-3-(trifluoromethyl)piperidine
PubChem CID177032913
Molecular FormulaC28H32F3NO
Molecular Weight455.56 g/mol
Exact Mass455.24
IUPAC Name1-[2-[3-methoxy-2-(5-propylnaphthalen-1-yl)phenyl]ethyl]-3-(trifluoromethyl)piperidine
SMILESCCCc1cccc2c(-c3c(CCN4CCCC(C(F)(F)F)C4)cccc3OC)cccc12
InChIInChI=1S/C28H32F3NO/c1-3-8-20-9-4-13-24-23(20)12-6-14-25(24)27-21(10-5-15-26(27)33-2)16-18-32-17-7-11-22(19-32)28(29,30)31/h4-6,9-10,12-15,22H,3,7-8,11,16-19H2,1-2H3
InChIKeyKAMWMCVOGZUKAU-UHFFFAOYSA-N
XLogP7.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-[3-methoxy-2-(5-propylnaphthalen-1-yl)phenyl]ethyl]-3-(trifluoromethyl)piperidine with MolForge

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Related Compounds

4-(1,1-difluoroethyl)-N-ethyl-1-(2-fluoropropyl)piperidine-4-carboxamide;formic acid;1-[2-[3-methoxy-2-(5-propylnaphthalen-1-yl)phenyl]ethyl]-3-methylpiperidine
CID 177032991
1-(2-cyclopropyl-6-methoxyphenyl)-5-propylnaphthalene
CID 177032909
2-ethoxy-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenol
CID 82966226
3-[[2,4-dimethoxy-3-(5-propylnaphthalen-1-yl)phenyl]methyl]-6,6-difluoro-3-azabicyclo[3.1.1]heptane
CID 177032459
1-[2-[3,5-dimethoxy-4-(5-propylnaphthalen-1-yl)phenyl]ethyl]-4-(fluoromethyl)-4-methylpiperidine
CID 177032141
1-[2-(2-methoxyphenyl)ethyl]piperidin-3-amine
CID 82159159
(3S)-3-(trifluoromethyl)-1-[[2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
CID 97313441
1-[(5-bromo-2-methoxyphenyl)methyl]-3-(trifluoromethyl)piperidine
CID 60670302
3-methoxy-4-[2-[3-(trifluoromethyl)piperidin-1-yl]ethoxy]benzoic acid
CID 166175507
2-fluoro-3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]aniline
CID 107347469
(2S)-2-[(2-fluoro-6-methylbenzoyl)amino]-3-[5-[2-[2-(4-fluoropiperidin-1-yl)ethyl]-6-methoxyphenyl]naphthalen-1-yl]propanoic acid
CID 170587970
1-[3-(4-bromophenyl)propyl]-3-(trifluoromethyl)piperidine
CID 175666595

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-methoxy-2-(5-propylnaphthalen-1-yl)phenyl]ethyl]-3-(trifluoromethyl)piperidine?
The IUPAC name of 1-[2-[3-methoxy-2-(5-propylnaphthalen-1-yl)phenyl]ethyl]-3-(trifluoromethyl)piperidine (CID 177032913) is 1-[2-[3-methoxy-2-(5-propylnaphthalen-1-yl)phenyl]ethyl]-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[2-[3-methoxy-2-(5-propylnaphthalen-1-yl)phenyl]ethyl]-3-(trifluoromethyl)piperidine?
The canonical SMILES for 1-[2-[3-methoxy-2-(5-propylnaphthalen-1-yl)phenyl]ethyl]-3-(trifluoromethyl)piperidine is CCCc1cccc2c(-c3c(CCN4CCCC(C(F)(F)F)C4)cccc3OC)cccc12.
What is the InChIKey of 1-[2-[3-methoxy-2-(5-propylnaphthalen-1-yl)phenyl]ethyl]-3-(trifluoromethyl)piperidine?
The InChIKey is KAMWMCVOGZUKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3NO/c1-3-8-20-9-4-13-24-23(20)12-6-14-25(24)27-21(10-5-15-26(27)33-2)16-18-32-17-7-11-22(19-32)28(29,30)31/h4-6,9-10,12-15,22H,3,7-8,11,16-19H2,1-2H3.
What are the key properties of 1-[2-[3-methoxy-2-(5-propylnaphthalen-1-yl)phenyl]ethyl]-3-(trifluoromethyl)piperidine?
1-[2-[3-methoxy-2-(5-propylnaphthalen-1-yl)phenyl]ethyl]-3-(trifluoromethyl)piperidine has a molecular weight of 455.56 g/mol, XLogP of 7.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-methoxy-2-(5-propylnaphthalen-1-yl)phenyl]ethyl]-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 177032913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).