1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidine-3-carbonitrile

C15H18N2O — CID 66364745

IUPAC1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidine-3-carbonitrile
SMILESN#CC1CCCN(CC2Cc3ccccc3O2)C1
InChIInChI=1S/C15H18N2O/c16-9-12-4-3-7-17(10-12)11-14-8-13-5-1-2-6-15(13)18-14/h1-2,5-6,12,14H,3-4,7-8,10-11H2
InChIKeyPOZWGUAKUZSQTL-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.23
Rot. Bonds2

About 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidine-3-carbonitrile

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidine-3-carbonitrile (PubChem CID 66364745) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidine-3-carbonitrile
PubChem CID66364745
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidine-3-carbonitrile
SMILESN#CC1CCCN(CC2Cc3ccccc3O2)C1
InChIInChI=1S/C15H18N2O/c16-9-12-4-3-7-17(10-12)11-14-8-13-5-1-2-6-15(13)18-14/h1-2,5-6,12,14H,3-4,7-8,10-11H2
InChIKeyPOZWGUAKUZSQTL-UHFFFAOYSA-N
XLogP2.23
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidine-3-carbonitrile 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

1-(2-chloroethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,4-diazepane
CID 66364035
1-(2-bromoethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,4-diazepane
CID 80667627
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-3-one
CID 62233014
3-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine
CID 64952160
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one
CID 55052644
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethyl-3-methylpiperidin-4-amine
CID 62234085
(3S)-1-benzylpiperidine-3-carbonitrile
CID 86315096
1-(2-bromoethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine
CID 80675136
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carbonitrile
CID 66363731
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine-3-carboxylic acid
CID 66364000
2-[4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazin-1-yl]propan-1-amine
CID 66347219
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine
CID 66363591

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidine-3-carbonitrile?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidine-3-carbonitrile (CID 66364745) is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidine-3-carbonitrile.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidine-3-carbonitrile?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidine-3-carbonitrile is N#CC1CCCN(CC2Cc3ccccc3O2)C1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidine-3-carbonitrile?
The InChIKey is POZWGUAKUZSQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c16-9-12-4-3-7-17(10-12)11-14-8-13-5-1-2-6-15(13)18-14/h1-2,5-6,12,14H,3-4,7-8,10-11H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidine-3-carbonitrile?
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidine-3-carbonitrile has a molecular weight of 242.32 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidine-3-carbonitrile is sourced from PubChem (CID 66364745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).