2,2,6,6-tetramethyl-1-[[(2R,3R)-2-prop-2-enyl-2,3-dihydro-1-benzofuran-3-yl]methoxy]piperidine

C21H31NO2 — CID 177413833

IUPAC2,2,6,6-tetramethyl-1-[[(2R,3R)-2-prop-2-enyl-2,3-dihydro-1-benzofuran-3-yl]methoxy]piperidine
SMILESC=CC[C@H]1Oc2ccccc2[C@@H]1CON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C21H31NO2/c1-6-10-18-17(16-11-7-8-12-19(16)24-18)15-23-22-20(2,3)13-9-14-21(22,4)5/h6-8,11-12,17-18H,1,9-10,13-15H2,2-5H3/t17-,18+/m0/s1
InChIKeyLXHBYFWKXLXHFO-ZWKOTPCHSA-N
MW329.48 g/mol
LogP5.08
Rot. Bonds5

About 2,2,6,6-tetramethyl-1-[[(2R,3R)-2-prop-2-enyl-2,3-dihydro-1-benzofuran-3-yl]methoxy]piperidine

2,2,6,6-tetramethyl-1-[[(2R,3R)-2-prop-2-enyl-2,3-dihydro-1-benzofuran-3-yl]methoxy]piperidine (PubChem CID 177413833) has the molecular formula C21H31NO2 and a molecular weight of 329.48 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-[[(2R,3R)-2-prop-2-enyl-2,3-dihydro-1-benzofuran-3-yl]methoxy]piperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-[[(2R,3R)-2-prop-2-enyl-2,3-dihydro-1-benzofuran-3-yl]methoxy]piperidine
PubChem CID177413833
Molecular FormulaC21H31NO2
Molecular Weight329.48 g/mol
Exact Mass329.24
IUPAC Name2,2,6,6-tetramethyl-1-[[(2R,3R)-2-prop-2-enyl-2,3-dihydro-1-benzofuran-3-yl]methoxy]piperidine
SMILESC=CC[C@H]1Oc2ccccc2[C@@H]1CON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C21H31NO2/c1-6-10-18-17(16-11-7-8-12-19(16)24-18)15-23-22-20(2,3)13-9-14-21(22,4)5/h6-8,11-12,17-18H,1,9-10,13-15H2,2-5H3/t17-,18+/m0/s1
InChIKeyLXHBYFWKXLXHFO-ZWKOTPCHSA-N
XLogP5.08
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.48
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,6,6-tetramethyl-1-[[(2R,3R)-2-prop-2-enyl-2,3-dihydro-1-benzofuran-3-yl]methoxy]piperidine with MolForge

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Launch Full Analysis

Related Compounds

2-Isopropylphenyl 4-(1-piperidinyl)butyl ether
CID 1825301
1-((3-Methyl-2,3-dihydrobenzofuran-2-yl)methyl)piperidine
CID 44421057
1-(2,3-Dihydrobenzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidine
CID 12709388
1-[[(2R,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine
CID 73357270
1-[2-[(3-methyl-2H-1-benzofuran-3-yl)methyl]prop-2-enyl]piperidine
CID 12982688
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)-2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine
CID 135031861
[1-(2,3-Dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 4-methylbenzenesulfonate
CID 135031862
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

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-[[(2R,3R)-2-prop-2-enyl-2,3-dihydro-1-benzofuran-3-yl]methoxy]piperidine?
The IUPAC name of 2,2,6,6-tetramethyl-1-[[(2R,3R)-2-prop-2-enyl-2,3-dihydro-1-benzofuran-3-yl]methoxy]piperidine (CID 177413833) is 2,2,6,6-tetramethyl-1-[[(2R,3R)-2-prop-2-enyl-2,3-dihydro-1-benzofuran-3-yl]methoxy]piperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-[[(2R,3R)-2-prop-2-enyl-2,3-dihydro-1-benzofuran-3-yl]methoxy]piperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-1-[[(2R,3R)-2-prop-2-enyl-2,3-dihydro-1-benzofuran-3-yl]methoxy]piperidine is C=CC[C@H]1Oc2ccccc2[C@@H]1CON1C(C)(C)CCCC1(C)C.
What is the InChIKey of 2,2,6,6-tetramethyl-1-[[(2R,3R)-2-prop-2-enyl-2,3-dihydro-1-benzofuran-3-yl]methoxy]piperidine?
The InChIKey is LXHBYFWKXLXHFO-ZWKOTPCHSA-N. The full InChI is InChI=1S/C21H31NO2/c1-6-10-18-17(16-11-7-8-12-19(16)24-18)15-23-22-20(2,3)13-9-14-21(22,4)5/h6-8,11-12,17-18H,1,9-10,13-15H2,2-5H3/t17-,18+/m0/s1.
What are the key properties of 2,2,6,6-tetramethyl-1-[[(2R,3R)-2-prop-2-enyl-2,3-dihydro-1-benzofuran-3-yl]methoxy]piperidine?
2,2,6,6-tetramethyl-1-[[(2R,3R)-2-prop-2-enyl-2,3-dihydro-1-benzofuran-3-yl]methoxy]piperidine has a molecular weight of 329.48 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-[[(2R,3R)-2-prop-2-enyl-2,3-dihydro-1-benzofuran-3-yl]methoxy]piperidine is sourced from PubChem (CID 177413833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).