(2S)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperazine

C14H20N2O — CID 82756095

IUPAC(2S)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperazine
SMILESC[C@H]1CNCCN1CC1COc2ccccc21
InChIInChI=1S/C14H20N2O/c1-11-8-15-6-7-16(11)9-12-10-17-14-5-3-2-4-13(12)14/h2-5,11-12,15H,6-10H2,1H3/t11-,12?/m0/s1
InChIKeyHVSWFFSJNGTZAN-PXYINDEMSA-N
MW232.33 g/mol
LogP1.46
Rot. Bonds2

About (2S)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperazine

(2S)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperazine (PubChem CID 82756095) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (2S)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperazine.

Molecular Properties

Compound Name(2S)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperazine
PubChem CID82756095
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(2S)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperazine
SMILESC[C@H]1CNCCN1CC1COc2ccccc21
InChIInChI=1S/C14H20N2O/c1-11-8-15-6-7-16(11)9-12-10-17-14-5-3-2-4-13(12)14/h2-5,11-12,15H,6-10H2,1H3/t11-,12?/m0/s1
InChIKeyHVSWFFSJNGTZAN-PXYINDEMSA-N
XLogP1.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperidin-4-amine
CID 113284538
1-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpiperazine
CID 64932917
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylpiperazine
CID 79221731
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpiperazine-2-carboxamide
CID 104769023
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methylpiperidine-2-carboxylic acid
CID 107072320
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine
CID 79229248
methyl 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-2-carboxylate
CID 115536905
ethyl 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrolidine-2-carboxylate
CID 79230459
N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-2-yl]methyl]ethanamine
CID 79230189
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,7-dimethyl-1,4-diazepane-2,5-dione
CID 79218362
[(4R)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-methylpiperazin-1-yl]methanone
CID 124556470
3-tert-butyl-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,4-diazepane
CID 79220372

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperazine?
The IUPAC name of (2S)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperazine (CID 82756095) is (2S)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperazine.
What is the SMILES notation for (2S)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperazine?
The canonical SMILES for (2S)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperazine is C[C@H]1CNCCN1CC1COc2ccccc21.
What is the InChIKey of (2S)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperazine?
The InChIKey is HVSWFFSJNGTZAN-PXYINDEMSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-8-15-6-7-16(11)9-12-10-17-14-5-3-2-4-13(12)14/h2-5,11-12,15H,6-10H2,1H3/t11-,12?/m0/s1.
What are the key properties of (2S)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperazine?
(2S)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperazine has a molecular weight of 232.33 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperazine is sourced from PubChem (CID 82756095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).