4-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)piperidine

C13H16ClNO — CID 117348278

IUPAC4-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)piperidine
SMILESClc1ccc2c(c1C1CCNCC1)CCO2
InChIInChI=1S/C13H16ClNO/c14-11-1-2-12-10(5-8-16-12)13(11)9-3-6-15-7-4-9/h1-2,9,15H,3-8H2
InChIKeyBCDLUDASVGTBQH-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.74
Rot. Bonds1

About 4-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)piperidine

4-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)piperidine (PubChem CID 117348278) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 4-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)piperidine.

Molecular Properties

Compound Name4-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)piperidine
PubChem CID117348278
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name4-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)piperidine
SMILESClc1ccc2c(c1C1CCNCC1)CCO2
InChIInChI=1S/C13H16ClNO/c14-11-1-2-12-10(5-8-16-12)13(11)9-3-6-15-7-4-9/h1-2,9,15H,3-8H2
InChIKeyBCDLUDASVGTBQH-UHFFFAOYSA-N
XLogP2.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)piperidine?
The IUPAC name of 4-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)piperidine (CID 117348278) is 4-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)piperidine.
What is the SMILES notation for 4-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)piperidine?
The canonical SMILES for 4-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)piperidine is Clc1ccc2c(c1C1CCNCC1)CCO2.
What is the InChIKey of 4-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)piperidine?
The InChIKey is BCDLUDASVGTBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-11-1-2-12-10(5-8-16-12)13(11)9-3-6-15-7-4-9/h1-2,9,15H,3-8H2.
What are the key properties of 4-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)piperidine?
4-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)piperidine has a molecular weight of 237.73 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)piperidine is sourced from PubChem (CID 117348278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).