2-[(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine

C16H22FN — CID 117371669

IUPAC2-[(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine
SMILESFc1c(CC2CCCCN2)ccc2c1CCCC2
InChIInChI=1S/C16H22FN/c17-16-13(11-14-6-3-4-10-18-14)9-8-12-5-1-2-7-15(12)16/h8-9,14,18H,1-7,10-11H2
InChIKeyWWWDAHGTNJTPGY-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.39
Rot. Bonds2

About 2-[(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine

2-[(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine (PubChem CID 117371669) has the molecular formula C16H22FN and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-[(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine
PubChem CID117371669
Molecular FormulaC16H22FN
Molecular Weight247.36 g/mol
Exact Mass247.17
IUPAC Name2-[(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine
SMILESFc1c(CC2CCCCN2)ccc2c1CCCC2
InChIInChI=1S/C16H22FN/c17-16-13(11-14-6-3-4-10-18-14)9-8-12-5-1-2-7-15(12)16/h8-9,14,18H,1-7,10-11H2
InChIKeyWWWDAHGTNJTPGY-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine
CID 117366133
2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine
CID 117301581
2,3-difluoro-4-(piperidin-2-ylmethyl)phenol
CID 117326852
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine
CID 117360963
2-fluoro-4-(piperidin-2-ylmethyl)benzene-1,3-diol
CID 117323641
2-[(2,4-difluoro-3-methoxyphenyl)methyl]piperidine
CID 117355168
(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 59218412
2-[(2-chloro-3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 117327912
2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine
CID 114489582
2-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)methyl]piperidine
CID 117417353
3-fluoro-2-methylsulfonyl-4-(piperidin-2-ylmethyl)phenol
CID 117463664
2-[(2,3,5-trifluorophenyl)methyl]piperidine
CID 117118174

Frequently Asked Questions

What is the IUPAC name of 2-[(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine?
The IUPAC name of 2-[(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine (CID 117371669) is 2-[(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine.
What is the SMILES notation for 2-[(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine?
The canonical SMILES for 2-[(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine is Fc1c(CC2CCCCN2)ccc2c1CCCC2.
What is the InChIKey of 2-[(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine?
The InChIKey is WWWDAHGTNJTPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN/c17-16-13(11-14-6-3-4-10-18-14)9-8-12-5-1-2-7-15(12)16/h8-9,14,18H,1-7,10-11H2.
What are the key properties of 2-[(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine?
2-[(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine has a molecular weight of 247.36 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine is sourced from PubChem (CID 117371669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).