1-[2-[3,5-dimethoxy-4-(5-propylnaphthalen-1-yl)phenyl]ethyl]-4-(fluoromethyl)-4-methylpiperidine

C30H38FNO2 — CID 177032141

IUPAC1-[2-[3,5-dimethoxy-4-(5-propylnaphthalen-1-yl)phenyl]ethyl]-4-(fluoromethyl)-4-methylpiperidine
SMILESCCCc1cccc2c(-c3c(OC)cc(CCN4CCC(C)(CF)CC4)cc3OC)cccc12
InChIInChI=1S/C30H38FNO2/c1-5-8-23-9-6-11-25-24(23)10-7-12-26(25)29-27(33-3)19-22(20-28(29)34-4)13-16-32-17-14-30(2,21-31)15-18-32/h6-7,9-12,19-20H,5,8,13-18,21H2,1-4H3
InChIKeyAGSRIIJWGZKWKP-UHFFFAOYSA-N
MW463.64 g/mol
LogP7.09
Rot. Bonds9

About 1-[2-[3,5-dimethoxy-4-(5-propylnaphthalen-1-yl)phenyl]ethyl]-4-(fluoromethyl)-4-methylpiperidine

1-[2-[3,5-dimethoxy-4-(5-propylnaphthalen-1-yl)phenyl]ethyl]-4-(fluoromethyl)-4-methylpiperidine (PubChem CID 177032141) has the molecular formula C30H38FNO2 and a molecular weight of 463.64 g/mol. Its IUPAC name is 1-[2-[3,5-dimethoxy-4-(5-propylnaphthalen-1-yl)phenyl]ethyl]-4-(fluoromethyl)-4-methylpiperidine.

Molecular Properties

Compound Name1-[2-[3,5-dimethoxy-4-(5-propylnaphthalen-1-yl)phenyl]ethyl]-4-(fluoromethyl)-4-methylpiperidine
PubChem CID177032141
Molecular FormulaC30H38FNO2
Molecular Weight463.64 g/mol
Exact Mass463.29
IUPAC Name1-[2-[3,5-dimethoxy-4-(5-propylnaphthalen-1-yl)phenyl]ethyl]-4-(fluoromethyl)-4-methylpiperidine
SMILESCCCc1cccc2c(-c3c(OC)cc(CCN4CCC(C)(CF)CC4)cc3OC)cccc12
InChIInChI=1S/C30H38FNO2/c1-5-8-23-9-6-11-25-24(23)10-7-12-26(25)29-27(33-3)19-22(20-28(29)34-4)13-16-32-17-14-30(2,21-31)15-18-32/h6-7,9-12,19-20H,5,8,13-18,21H2,1-4H3
InChIKeyAGSRIIJWGZKWKP-UHFFFAOYSA-N
XLogP7.09
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.64
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-[4-[(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)methyl]-2,6-dimethoxyphenyl]naphthalen-1-yl]propanoic acid
CID 177032087
1-(2-cyclopropyl-6-methoxyphenyl)-5-propylnaphthalene
CID 177032909
1-[2-[3-methoxy-2-(5-propylnaphthalen-1-yl)phenyl]ethyl]-3-(trifluoromethyl)piperidine
CID 177032913
3-[5-[4-(6-azaspiro[2.5]octan-6-ylmethyl)-2,6-diethoxyphenyl]naphthalen-1-yl]propanoic acid
CID 177031880
3-[[2,4-dimethoxy-3-(5-propylnaphthalen-1-yl)phenyl]methyl]-6,6-difluoro-3-azabicyclo[3.1.1]heptane
CID 177032459
acetylene;1-[4-(1,1-difluoroethyl)-1-(2,2-difluoropropyl)piperidin-4-yl]-N-ethylethenamine;(Z)-1-[3,5-dimethoxy-4-(5-propylnaphthalen-1-yl)phenyl]-N-ethyl-N-methylbut-2-en-2-amine;ethane;formic acid
CID 177032276
4-(1,1-difluoroethyl)-1-(2,2-difluoropropyl)-N-ethylpiperidine-4-carboxamide;3-[5-[4-[(2-ethyl-4-fluoro-4-methylpiperidin-1-yl)methyl]-2,6-dimethoxyphenyl]naphthalen-1-yl]propanoic acid
CID 177032653
3-[5-[2-methoxy-5-(2-piperidin-1-ylethyl)phenyl]naphthalen-1-yl]propanoic acid;1-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)piperidine-4-carboxamide
CID 170588650
1-(4-chloro-5-ethyl-2-methoxyphenyl)-5-propylnaphthalene
CID 177031993
4,4-difluoro-1-[2-(3-methoxy-2-methylphenyl)ethyl]piperidine;ethane
CID 170588684
3-[5-[3-[(4,4-dimethylpiperidin-1-yl)methyl]-2,6-dimethoxyphenyl]naphthalen-1-yl]propanoic acid
CID 170588946
4-methoxy-5-(2-piperidin-1-ylethoxy)-2-propylfluoren-9-one
CID 174392258

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3,5-dimethoxy-4-(5-propylnaphthalen-1-yl)phenyl]ethyl]-4-(fluoromethyl)-4-methylpiperidine?
The IUPAC name of 1-[2-[3,5-dimethoxy-4-(5-propylnaphthalen-1-yl)phenyl]ethyl]-4-(fluoromethyl)-4-methylpiperidine (CID 177032141) is 1-[2-[3,5-dimethoxy-4-(5-propylnaphthalen-1-yl)phenyl]ethyl]-4-(fluoromethyl)-4-methylpiperidine.
What is the SMILES notation for 1-[2-[3,5-dimethoxy-4-(5-propylnaphthalen-1-yl)phenyl]ethyl]-4-(fluoromethyl)-4-methylpiperidine?
The canonical SMILES for 1-[2-[3,5-dimethoxy-4-(5-propylnaphthalen-1-yl)phenyl]ethyl]-4-(fluoromethyl)-4-methylpiperidine is CCCc1cccc2c(-c3c(OC)cc(CCN4CCC(C)(CF)CC4)cc3OC)cccc12.
What is the InChIKey of 1-[2-[3,5-dimethoxy-4-(5-propylnaphthalen-1-yl)phenyl]ethyl]-4-(fluoromethyl)-4-methylpiperidine?
The InChIKey is AGSRIIJWGZKWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38FNO2/c1-5-8-23-9-6-11-25-24(23)10-7-12-26(25)29-27(33-3)19-22(20-28(29)34-4)13-16-32-17-14-30(2,21-31)15-18-32/h6-7,9-12,19-20H,5,8,13-18,21H2,1-4H3.
What are the key properties of 1-[2-[3,5-dimethoxy-4-(5-propylnaphthalen-1-yl)phenyl]ethyl]-4-(fluoromethyl)-4-methylpiperidine?
1-[2-[3,5-dimethoxy-4-(5-propylnaphthalen-1-yl)phenyl]ethyl]-4-(fluoromethyl)-4-methylpiperidine has a molecular weight of 463.64 g/mol, XLogP of 7.09, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3,5-dimethoxy-4-(5-propylnaphthalen-1-yl)phenyl]ethyl]-4-(fluoromethyl)-4-methylpiperidine is sourced from PubChem (CID 177032141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).