4-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine

C15H19NO — CID 116987162

IUPAC4-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine
SMILESCc1c(CC2CCNCC2)oc2ccccc12
InChIInChI=1S/C15H19NO/c1-11-13-4-2-3-5-14(13)17-15(11)10-12-6-8-16-9-7-12/h2-5,12,16H,6-10H2,1H3
InChIKeyJPWMOYLHHDSXDF-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.28
Rot. Bonds2

About 4-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine

4-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine (PubChem CID 116987162) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine
PubChem CID116987162
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name4-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine
SMILESCc1c(CC2CCNCC2)oc2ccccc12
InChIInChI=1S/C15H19NO/c1-11-13-4-2-3-5-14(13)17-15(11)10-12-6-8-16-9-7-12/h2-5,12,16H,6-10H2,1H3
InChIKeyJPWMOYLHHDSXDF-UHFFFAOYSA-N
XLogP3.28
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methyl-1-benzofuran-2-yl)-1-piperazin-1-ylethanone
CID 82264272
4-[(2,6-dimethylphenyl)methyl]piperidine
CID 103840873
4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
CID 46172843
(3S)-N,1-dimethyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidin-3-amine
CID 124680311
4-[(2,3,4-trimethylphenyl)methyl]piperidine
CID 116925401
2-(cyclopropylmethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride
CID 119789569
[2-(piperidin-4-ylmethyl)phenyl]methanamine
CID 105456757
1-methyl-3-(piperidin-4-ylmethyl)indazole
CID 84692872
4-(furan-2-ylmethyl)piperidine
CID 83480581
4-[2-(piperidin-4-ylmethyl)phenyl]piperidine
CID 117399981
N-[(3-methyl-1-benzofuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
CID 154895193
7-methyl-2-(piperidin-4-ylmethyl)-1,3-benzoxazole
CID 79608893

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine?
The IUPAC name of 4-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine (CID 116987162) is 4-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine.
What is the SMILES notation for 4-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine?
The canonical SMILES for 4-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine is Cc1c(CC2CCNCC2)oc2ccccc12.
What is the InChIKey of 4-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine?
The InChIKey is JPWMOYLHHDSXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-11-13-4-2-3-5-14(13)17-15(11)10-12-6-8-16-9-7-12/h2-5,12,16H,6-10H2,1H3.
What are the key properties of 4-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine?
4-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine has a molecular weight of 229.32 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine is sourced from PubChem (CID 116987162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).