4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol

C17H34N2O2 — CID 79914066

IUPAC4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol
SMILESCN(C)CC1CCN(CC2C(O)C(C)(C)OC2(C)C)CC1
InChIInChI=1S/C17H34N2O2/c1-16(2)14(15(20)17(3,4)21-16)12-19-9-7-13(8-10-19)11-18(5)6/h13-15,20H,7-12H2,1-6H3
InChIKeyRXGXGIGSZVADFO-UHFFFAOYSA-N
MW298.47 g/mol
LogP1.82
Rot. Bonds4

About 4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol

4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol (PubChem CID 79914066) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol.

Molecular Properties

Compound Name4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol
PubChem CID79914066
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol
SMILESCN(C)CC1CCN(CC2C(O)C(C)(C)OC2(C)C)CC1
InChIInChI=1S/C17H34N2O2/c1-16(2)14(15(20)17(3,4)21-16)12-19-9-7-13(8-10-19)11-18(5)6/h13-15,20H,7-12H2,1-6H3
InChIKeyRXGXGIGSZVADFO-UHFFFAOYSA-N
XLogP1.82
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methoxypiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol
CID 79929054
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-ol
CID 115562015
4-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol
CID 107229016
[1-[(4-amino-2,2,5,5-tetramethyloxolan-3-yl)methyl]piperidin-4-yl]methanol
CID 79934162
2,2,5,5-tetramethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolan-3-ol
CID 79929474
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]cycloheptan-1-ol
CID 62610429
2,2,5,5-tetramethyl-4-[(2-methylpyrrolidin-1-yl)methyl]oxolan-3-ol
CID 79929463
N,N-dimethyl-1-[1-(3-methylbut-2-enyl)piperidin-4-yl]methanamine
CID 56824391
4-[(2-ethylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol
CID 79929462
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 62707955
2,2,5,5-tetramethyl-4-[[methyl(oxolan-3-yl)amino]methyl]oxolan-3-ol
CID 82754940
1-[[2,2,5,5-tetramethyl-4-(methylamino)oxolan-3-yl]methyl]pyrrolidin-3-ol
CID 79933882

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The IUPAC name of 4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol (CID 79914066) is 4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol.
What is the SMILES notation for 4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The canonical SMILES for 4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol is CN(C)CC1CCN(CC2C(O)C(C)(C)OC2(C)C)CC1.
What is the InChIKey of 4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The InChIKey is RXGXGIGSZVADFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-16(2)14(15(20)17(3,4)21-16)12-19-9-7-13(8-10-19)11-18(5)6/h13-15,20H,7-12H2,1-6H3.
What are the key properties of 4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol?
4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol has a molecular weight of 298.47 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol is sourced from PubChem (CID 79914066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).