3-(18F)fluoro-1-[3-(6-methoxynaphthalen-1-yl)propyl]-3-methylpiperidine

C20H26FNO — CID 135033356

IUPAC3-(18F)fluoro-1-[3-(6-methoxynaphthalen-1-yl)propyl]-3-methylpiperidine
SMILESCOc1ccc2c(CCCN3CCCC(C)([18F])C3)cccc2c1
InChIInChI=1S/C20H26FNO/c1-20(21)11-5-13-22(15-20)12-4-8-16-6-3-7-17-14-18(23-2)9-10-19(16)17/h3,6-7,9-10,14H,4-5,8,11-13,15H2,1-2H3/i21-1
InChIKeyZTJCSBLMALKBJX-GJQNQZCXSA-N
MW314.43 g/mol
LogP4.61
Rot. Bonds5

About 3-(18F)fluoro-1-[3-(6-methoxynaphthalen-1-yl)propyl]-3-methylpiperidine

3-(18F)fluoro-1-[3-(6-methoxynaphthalen-1-yl)propyl]-3-methylpiperidine (PubChem CID 135033356) has the molecular formula C20H26FNO and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-(18F)fluoro-1-[3-(6-methoxynaphthalen-1-yl)propyl]-3-methylpiperidine.

Molecular Properties

Compound Name3-(18F)fluoro-1-[3-(6-methoxynaphthalen-1-yl)propyl]-3-methylpiperidine
PubChem CID135033356
Molecular FormulaC20H26FNO
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name3-(18F)fluoro-1-[3-(6-methoxynaphthalen-1-yl)propyl]-3-methylpiperidine
SMILESCOc1ccc2c(CCCN3CCCC(C)([18F])C3)cccc2c1
InChIInChI=1S/C20H26FNO/c1-20(21)11-5-13-22(15-20)12-4-8-16-6-3-7-17-14-18(23-2)9-10-19(16)17/h3,6-7,9-10,14H,4-5,8,11-13,15H2,1-2H3/i21-1
InChIKeyZTJCSBLMALKBJX-GJQNQZCXSA-N
XLogP4.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine
CID 11573193
1-[4-(6-methoxynaphthalen-1-yl)butyl]-4,4-dimethylpiperidine
CID 11493574
1-[4-(6-methoxynaphthalen-1-yl)butyl]-2,2-dimethylpiperidine;hydrochloride
CID 11617475
1-[4-(6-methoxynaphthalen-1-yl)butyl]-4-methylpiperidine;hydrochloride
CID 11674649
1-(3-bromopropyl)-6-methoxynaphthalene
CID 11514645
1-[2-(2-bromo-5-methoxyphenyl)ethyl]-3,3-difluoropiperidine
CID 171934527
(6-methoxynaphthalen-1-yl)methanethiol
CID 45117105
3-(3-fluoro-3-methylpiperidin-1-yl)propan-1-ol
CID 126793849
1-[3-(3-fluoro-2-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862945
3-methyl-1-(3-naphthalen-2-yloxypropyl)piperidin-3-ol
CID 146124310
2-(6-methoxynaphthalen-1-yl)acetic acid
CID 10398394
1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-3-ol
CID 115873746

Frequently Asked Questions

What is the IUPAC name of 3-(18F)fluoro-1-[3-(6-methoxynaphthalen-1-yl)propyl]-3-methylpiperidine?
The IUPAC name of 3-(18F)fluoro-1-[3-(6-methoxynaphthalen-1-yl)propyl]-3-methylpiperidine (CID 135033356) is 3-(18F)fluoro-1-[3-(6-methoxynaphthalen-1-yl)propyl]-3-methylpiperidine.
What is the SMILES notation for 3-(18F)fluoro-1-[3-(6-methoxynaphthalen-1-yl)propyl]-3-methylpiperidine?
The canonical SMILES for 3-(18F)fluoro-1-[3-(6-methoxynaphthalen-1-yl)propyl]-3-methylpiperidine is COc1ccc2c(CCCN3CCCC(C)([18F])C3)cccc2c1.
What is the InChIKey of 3-(18F)fluoro-1-[3-(6-methoxynaphthalen-1-yl)propyl]-3-methylpiperidine?
The InChIKey is ZTJCSBLMALKBJX-GJQNQZCXSA-N. The full InChI is InChI=1S/C20H26FNO/c1-20(21)11-5-13-22(15-20)12-4-8-16-6-3-7-17-14-18(23-2)9-10-19(16)17/h3,6-7,9-10,14H,4-5,8,11-13,15H2,1-2H3/i21-1.
What are the key properties of 3-(18F)fluoro-1-[3-(6-methoxynaphthalen-1-yl)propyl]-3-methylpiperidine?
3-(18F)fluoro-1-[3-(6-methoxynaphthalen-1-yl)propyl]-3-methylpiperidine has a molecular weight of 314.43 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(18F)fluoro-1-[3-(6-methoxynaphthalen-1-yl)propyl]-3-methylpiperidine is sourced from PubChem (CID 135033356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).