4-(5-chloro-1-benzofuran-2-yl)piperidine

C13H14ClNO — CID 23312203

IUPAC4-(5-chloro-1-benzofuran-2-yl)piperidine
SMILESClc1ccc2oc(C3CCNCC3)cc2c1
InChIInChI=1S/C13H14ClNO/c14-11-1-2-12-10(7-11)8-13(16-12)9-3-5-15-6-4-9/h1-2,7-9,15H,3-6H2
InChIKeySMTVIQNTGQBNBP-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.55
Rot. Bonds1

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

4-(5-chloro-1-benzofuran-2-yl)piperidine (PubChem CID 23312203) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 4-(5-chloro-1-benzofuran-2-yl)piperidine.

Molecular Properties

Compound Name4-(5-chloro-1-benzofuran-2-yl)piperidine
PubChem CID23312203
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name4-(5-chloro-1-benzofuran-2-yl)piperidine
SMILESClc1ccc2oc(C3CCNCC3)cc2c1
InChIInChI=1S/C13H14ClNO/c14-11-1-2-12-10(7-11)8-13(16-12)9-3-5-15-6-4-9/h1-2,7-9,15H,3-6H2
InChIKeySMTVIQNTGQBNBP-UHFFFAOYSA-N
XLogP3.55
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1-benzofuran-2-yl)piperidine?
The IUPAC name of 4-(5-chloro-1-benzofuran-2-yl)piperidine (CID 23312203) is 4-(5-chloro-1-benzofuran-2-yl)piperidine.
What is the SMILES notation for 4-(5-chloro-1-benzofuran-2-yl)piperidine?
The canonical SMILES for 4-(5-chloro-1-benzofuran-2-yl)piperidine is Clc1ccc2oc(C3CCNCC3)cc2c1.
What is the InChIKey of 4-(5-chloro-1-benzofuran-2-yl)piperidine?
The InChIKey is SMTVIQNTGQBNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c14-11-1-2-12-10(7-11)8-13(16-12)9-3-5-15-6-4-9/h1-2,7-9,15H,3-6H2.
What are the key properties of 4-(5-chloro-1-benzofuran-2-yl)piperidine?
4-(5-chloro-1-benzofuran-2-yl)piperidine has a molecular weight of 235.71 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1-benzofuran-2-yl)piperidine is sourced from PubChem (CID 23312203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).