(3S)-3-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine

C14H16FNO — CID 176570011

IUPAC(3S)-3-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine
SMILESFc1ccc2c(C[C@@H]3CCCNC3)coc2c1
InChIInChI=1S/C14H16FNO/c15-12-3-4-13-11(9-17-14(13)7-12)6-10-2-1-5-16-8-10/h3-4,7,9-10,16H,1-2,5-6,8H2/t10-/m0/s1
InChIKeyRPSSKDOOANEUIT-JTQLQIEISA-N
MW233.29 g/mol
LogP3.11
Rot. Bonds2

About (3S)-3-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine

(3S)-3-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine (PubChem CID 176570011) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is (3S)-3-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine.

Molecular Properties

Compound Name(3S)-3-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine
PubChem CID176570011
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name(3S)-3-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine
SMILESFc1ccc2c(C[C@@H]3CCCNC3)coc2c1
InChIInChI=1S/C14H16FNO/c15-12-3-4-13-11(9-17-14(13)7-12)6-10-2-1-5-16-8-10/h3-4,7,9-10,16H,1-2,5-6,8H2/t10-/m0/s1
InChIKeyRPSSKDOOANEUIT-JTQLQIEISA-N
XLogP3.11
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine
CID 71261709
3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 84789117
6-fluoro-1-methyl-3-(piperidin-3-ylmethyl)indole
CID 84632394
6-fluoro-2-(piperidin-3-ylmethyl)-1,3-benzoxazole
CID 55232173
3-[(5-fluoro-1-benzofuran-4-yl)methyl]piperidine
CID 117338299
3-[2-(2,5-difluorophenyl)ethyl]piperidine
CID 62234772
2,4-difluoro-6-(piperidin-3-ylmethyl)phenol
CID 84791352
3-[(3,5-difluorophenyl)methyl]azepane
CID 105411836
4-[(2,5-difluorophenyl)methyl]azepane
CID 83262438
3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine
CID 84790249
7-fluoro-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054690
3-[(2-bromo-3,4-difluorophenyl)methyl]piperidine
CID 84814784

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine?
The IUPAC name of (3S)-3-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine (CID 176570011) is (3S)-3-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine.
What is the SMILES notation for (3S)-3-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine?
The canonical SMILES for (3S)-3-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine is Fc1ccc2c(C[C@@H]3CCCNC3)coc2c1.
What is the InChIKey of (3S)-3-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine?
The InChIKey is RPSSKDOOANEUIT-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16FNO/c15-12-3-4-13-11(9-17-14(13)7-12)6-10-2-1-5-16-8-10/h3-4,7,9-10,16H,1-2,5-6,8H2/t10-/m0/s1.
What are the key properties of (3S)-3-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine?
(3S)-3-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine has a molecular weight of 233.29 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine is sourced from PubChem (CID 176570011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).