3-[(4-chloro-7-methoxy-1-benzofuran-5-yl)methyl]piperidine

C15H18ClNO2 — CID 117448942

IUPAC3-[(4-chloro-7-methoxy-1-benzofuran-5-yl)methyl]piperidine
SMILESCOc1cc(CC2CCCNC2)c(Cl)c2ccoc12
InChIInChI=1S/C15H18ClNO2/c1-18-13-8-11(7-10-3-2-5-17-9-10)14(16)12-4-6-19-15(12)13/h4,6,8,10,17H,2-3,5,7,9H2,1H3
InChIKeyPCLOKFSJMDKFRA-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.64
Rot. Bonds3

About 3-[(4-chloro-7-methoxy-1-benzofuran-5-yl)methyl]piperidine

3-[(4-chloro-7-methoxy-1-benzofuran-5-yl)methyl]piperidine (PubChem CID 117448942) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 3-[(4-chloro-7-methoxy-1-benzofuran-5-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[(4-chloro-7-methoxy-1-benzofuran-5-yl)methyl]piperidine
PubChem CID117448942
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name3-[(4-chloro-7-methoxy-1-benzofuran-5-yl)methyl]piperidine
SMILESCOc1cc(CC2CCCNC2)c(Cl)c2ccoc12
InChIInChI=1S/C15H18ClNO2/c1-18-13-8-11(7-10-3-2-5-17-9-10)14(16)12-4-6-19-15(12)13/h4,6,8,10,17H,2-3,5,7,9H2,1H3
InChIKeyPCLOKFSJMDKFRA-UHFFFAOYSA-N
XLogP3.64
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(4-chloro-7-methoxy-1-benzofuran-5-yl)methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-chloro-2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117464468
5-chloro-2-methoxy-4-(piperidin-3-ylmethyl)phenol
CID 117392596
3-[(2-chloro-3,6-dimethoxyphenyl)methyl]piperidine
CID 117427851
3-[(2-chloro-3,4,6-trimethoxyphenyl)methyl]piperidine
CID 117482743
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
3-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398036
3-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]piperidine
CID 117479530
3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 84789117
3-[(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)methyl]piperidine
CID 117371537
3-[(2-fluoro-5-methoxy-4-methylphenyl)methyl]piperidine
CID 84798639
3-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413184
3-[(3,5-dimethoxy-2-methylphenyl)methyl]piperidine
CID 117377185

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-7-methoxy-1-benzofuran-5-yl)methyl]piperidine?
The IUPAC name of 3-[(4-chloro-7-methoxy-1-benzofuran-5-yl)methyl]piperidine (CID 117448942) is 3-[(4-chloro-7-methoxy-1-benzofuran-5-yl)methyl]piperidine.
What is the SMILES notation for 3-[(4-chloro-7-methoxy-1-benzofuran-5-yl)methyl]piperidine?
The canonical SMILES for 3-[(4-chloro-7-methoxy-1-benzofuran-5-yl)methyl]piperidine is COc1cc(CC2CCCNC2)c(Cl)c2ccoc12.
What is the InChIKey of 3-[(4-chloro-7-methoxy-1-benzofuran-5-yl)methyl]piperidine?
The InChIKey is PCLOKFSJMDKFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-18-13-8-11(7-10-3-2-5-17-9-10)14(16)12-4-6-19-15(12)13/h4,6,8,10,17H,2-3,5,7,9H2,1H3.
What are the key properties of 3-[(4-chloro-7-methoxy-1-benzofuran-5-yl)methyl]piperidine?
3-[(4-chloro-7-methoxy-1-benzofuran-5-yl)methyl]piperidine has a molecular weight of 279.77 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-7-methoxy-1-benzofuran-5-yl)methyl]piperidine is sourced from PubChem (CID 117448942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).