4-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]piperidine

C14H18FNO — CID 104545402

IUPAC4-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]piperidine
SMILESFC(c1ccc2c(c1)CCO2)C1CCNCC1
InChIInChI=1S/C14H18FNO/c15-14(10-3-6-16-7-4-10)12-1-2-13-11(9-12)5-8-17-13/h1-2,9-10,14,16H,3-8H2
InChIKeyHNCQUKBTQWXCAP-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.63
Rot. Bonds2

About 4-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]piperidine

4-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]piperidine (PubChem CID 104545402) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 4-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]piperidine.

Molecular Properties

Compound Name4-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]piperidine
PubChem CID104545402
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name4-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]piperidine
SMILESFC(c1ccc2c(c1)CCO2)C1CCNCC1
InChIInChI=1S/C14H18FNO/c15-14(10-3-6-16-7-4-10)12-1-2-13-11(9-12)5-8-17-13/h1-2,9-10,14,16H,3-8H2
InChIKeyHNCQUKBTQWXCAP-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl(piperidin-4-yl)methanol
CID 43146493
1-[(S)-cyclopentyl(2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine;dihydrochloride
CID 171275740
1-[(R)-2,3-dihydro-1-benzofuran-5-yl(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171288374
2,3-dihydro-1-benzofuran-5-yl(piperidin-3-yl)methanol
CID 43146492
1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethyl]piperazine
CID 171181795
4-[(3,4-dichlorophenyl)-fluoromethyl]piperidine
CID 112563633
1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine
CID 96840191
4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidine
CID 84684730
N-(2,3-dihydro-1-benzofuran-5-yl)piperidin-4-amine
CID 61017067
cyclooctyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 65018642
5-[chloro(cyclohexyl)methyl]-2,3-dihydro-1-benzofuran
CID 63430096
(S)-cyclohexyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 28500273

Frequently Asked Questions

What is the IUPAC name of 4-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]piperidine?
The IUPAC name of 4-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]piperidine (CID 104545402) is 4-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]piperidine.
What is the SMILES notation for 4-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]piperidine?
The canonical SMILES for 4-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]piperidine is FC(c1ccc2c(c1)CCO2)C1CCNCC1.
What is the InChIKey of 4-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]piperidine?
The InChIKey is HNCQUKBTQWXCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c15-14(10-3-6-16-7-4-10)12-1-2-13-11(9-12)5-8-17-13/h1-2,9-10,14,16H,3-8H2.
What are the key properties of 4-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]piperidine?
4-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]piperidine has a molecular weight of 235.30 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]piperidine is sourced from PubChem (CID 104545402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).