2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]piperidine

C17H25NO2 — CID 66361968

IUPAC2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]piperidine
SMILESCc1ccc2c(c1)CC(COCCC1CCCCN1)O2
InChIInChI=1S/C17H25NO2/c1-13-5-6-17-14(10-13)11-16(20-17)12-19-9-7-15-4-2-3-8-18-15/h5-6,10,15-16,18H,2-4,7-9,11-12H2,1H3
InChIKeyRQTJSUCZFUGOOU-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.85
Rot. Bonds5

About 2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]piperidine

2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]piperidine (PubChem CID 66361968) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]piperidine.

Molecular Properties

Compound Name2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]piperidine
PubChem CID66361968
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]piperidine
SMILESCc1ccc2c(c1)CC(COCCC1CCCCN1)O2
InChIInChI=1S/C17H25NO2/c1-13-5-6-17-14(10-13)11-16(20-17)12-19-9-7-15-4-2-3-8-18-15/h5-6,10,15-16,18H,2-4,7-9,11-12H2,1H3
InChIKeyRQTJSUCZFUGOOU-UHFFFAOYSA-N
XLogP2.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine
CID 66362602
(2R)-2-(methoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 58740913
2-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]piperidine
CID 82354042
2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline
CID 102902368
(2S)-2-[2-(2,5-dimethylphenoxy)ethyl]piperidine
CID 28749787
2-(difluoromethoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 145338313
1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxymethyl]cycloheptan-1-amine
CID 66362925
2-[2-(oxolan-2-ylmethoxy)ethyl]piperidine
CID 43149956
2-[2-(oxan-2-ylmethoxy)ethyl]piperidine
CID 43149954
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentanamine
CID 66360179
2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200722
(2S)-2-[2-(2-bromo-4-methylphenoxy)ethyl]piperidine
CID 86320918

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]piperidine?
The IUPAC name of 2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]piperidine (CID 66361968) is 2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]piperidine.
What is the SMILES notation for 2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]piperidine?
The canonical SMILES for 2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]piperidine is Cc1ccc2c(c1)CC(COCCC1CCCCN1)O2.
What is the InChIKey of 2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]piperidine?
The InChIKey is RQTJSUCZFUGOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-5-6-17-14(10-13)11-16(20-17)12-19-9-7-15-4-2-3-8-18-15/h5-6,10,15-16,18H,2-4,7-9,11-12H2,1H3.
What are the key properties of 2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]piperidine?
2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]piperidine has a molecular weight of 275.39 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]piperidine is sourced from PubChem (CID 66361968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).