1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine

C21H29NO3 — CID 135031861

IUPAC1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine
SMILESC#CCOC1CC(C)(C)N(OCC2COc3ccccc32)C(C)(C)C1
InChIInChI=1S/C21H29NO3/c1-6-11-23-17-12-20(2,3)22(21(4,5)13-17)25-15-16-14-24-19-10-8-7-9-18(16)19/h1,7-10,16-17H,11-15H2,2-5H3
InChIKeyAAMOVXGCLNPBQR-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.77
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine

1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine (PubChem CID 135031861) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine
PubChem CID135031861
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine
SMILESC#CCOC1CC(C)(C)N(OCC2COc3ccccc32)C(C)(C)C1
InChIInChI=1S/C21H29NO3/c1-6-11-23-17-12-20(2,3)22(21(4,5)13-17)25-15-16-14-24-19-10-8-7-9-18(16)19/h1,7-10,16-17H,11-15H2,2-5H3
InChIKeyAAMOVXGCLNPBQR-UHFFFAOYSA-N
XLogP3.77
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine 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-(2,3-Dihydrobenzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidine
CID 12709388
4-(2,3-Dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanenitrile
CID 102100110
1-(2,3-Dihydro-1-benzofuran-3-ylmethoxy)-2,6-diethyl-2,3,6-trimethylpiperidine
CID 135031863
1-(2,3-Dihydro-1-benzofuran-3-ylmethoxy)-4-methoxy-2,2,6,6-tetramethylpiperidine
CID 135031864
1-(2,3-Dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-one
CID 135031865
1-(2,3-Dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-ol
CID 135031867
CID 101083628
CID 101083628
1-(3-Phenyl-2,3-dihydrobenzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidine
CID 12116356
N-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-methylpropan-2-amine
CID 12709387
2,2,6,6-Tetramethyl-1-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethoxy]-4-propoxypiperidine
CID 20588145
2,4-Dimethyl-1-pentoxybenzene;1-methoxy-2,2,6,6-tetramethylpiperidine
CID 54042744
1'-tert-butylspiro[3H-1-benzofuran-2,4'-piperidine]
CID 59367726

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine (CID 135031861) is 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine is C#CCOC1CC(C)(C)N(OCC2COc3ccccc32)C(C)(C)C1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine?
The InChIKey is AAMOVXGCLNPBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c1-6-11-23-17-12-20(2,3)22(21(4,5)13-17)25-15-16-14-24-19-10-8-7-9-18(16)19/h1,7-10,16-17H,11-15H2,2-5H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine?
1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine has a molecular weight of 343.47 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine is sourced from PubChem (CID 135031861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).