(3R,4R)-4-(5-fluoro-1-benzofuran-4-yl)-3-methylpiperidine;hydrochloride

C14H17ClFNO — CID 20775602

IUPAC(3R,4R)-4-(5-fluoro-1-benzofuran-4-yl)-3-methylpiperidine;hydrochloride
SMILESC[C@H]1CNCC[C@H]1c1c(F)ccc2occc12.Cl
InChIInChI=1S/C14H16FNO.ClH/c1-9-8-16-6-4-10(9)14-11-5-7-17-13(11)3-2-12(14)15;/h2-3,5,7,9-10,16H,4,6,8H2,1H3;1H/t9-,10+;/m0./s1
InChIKeyHFCXYQAUNXBWLT-BAUSSPIASA-N
MW269.75 g/mol
LogP3.71
Rot. Bonds1

About (3R,4R)-4-(5-fluoro-1-benzofuran-4-yl)-3-methylpiperidine;hydrochloride

(3R,4R)-4-(5-fluoro-1-benzofuran-4-yl)-3-methylpiperidine;hydrochloride (PubChem CID 20775602) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is (3R,4R)-4-(5-fluoro-1-benzofuran-4-yl)-3-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name(3R,4R)-4-(5-fluoro-1-benzofuran-4-yl)-3-methylpiperidine;hydrochloride
PubChem CID20775602
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC Name(3R,4R)-4-(5-fluoro-1-benzofuran-4-yl)-3-methylpiperidine;hydrochloride
SMILESC[C@H]1CNCC[C@H]1c1c(F)ccc2occc12.Cl
InChIInChI=1S/C14H16FNO.ClH/c1-9-8-16-6-4-10(9)14-11-5-7-17-13(11)3-2-12(14)15;/h2-3,5,7,9-10,16H,4,6,8H2,1H3;1H/t9-,10+;/m0./s1
InChIKeyHFCXYQAUNXBWLT-BAUSSPIASA-N
XLogP3.71
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(5-fluoro-1-benzofuran-4-yl)-3-methylpiperidine;hydrochloride?
The IUPAC name of (3R,4R)-4-(5-fluoro-1-benzofuran-4-yl)-3-methylpiperidine;hydrochloride (CID 20775602) is (3R,4R)-4-(5-fluoro-1-benzofuran-4-yl)-3-methylpiperidine;hydrochloride.
What is the SMILES notation for (3R,4R)-4-(5-fluoro-1-benzofuran-4-yl)-3-methylpiperidine;hydrochloride?
The canonical SMILES for (3R,4R)-4-(5-fluoro-1-benzofuran-4-yl)-3-methylpiperidine;hydrochloride is C[C@H]1CNCC[C@H]1c1c(F)ccc2occc12.Cl.
What is the InChIKey of (3R,4R)-4-(5-fluoro-1-benzofuran-4-yl)-3-methylpiperidine;hydrochloride?
The InChIKey is HFCXYQAUNXBWLT-BAUSSPIASA-N. The full InChI is InChI=1S/C14H16FNO.ClH/c1-9-8-16-6-4-10(9)14-11-5-7-17-13(11)3-2-12(14)15;/h2-3,5,7,9-10,16H,4,6,8H2,1H3;1H/t9-,10+;/m0./s1.
What are the key properties of (3R,4R)-4-(5-fluoro-1-benzofuran-4-yl)-3-methylpiperidine;hydrochloride?
(3R,4R)-4-(5-fluoro-1-benzofuran-4-yl)-3-methylpiperidine;hydrochloride has a molecular weight of 269.75 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(5-fluoro-1-benzofuran-4-yl)-3-methylpiperidine;hydrochloride is sourced from PubChem (CID 20775602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).