2-[dideuterio-(2,2-dimethyloxan-4-yl)methyl]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-1-ol

C16H29NO2 — CID 175791609

IUPAC2-[dideuterio-(2,2-dimethyloxan-4-yl)methyl]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-1-ol
SMILES[2H]C([2H])(C1CCOC(C)(C)C1)N1CCC2CCCC2C1O
InChIInChI=1S/C16H29NO2/c1-16(2)10-12(7-9-19-16)11-17-8-6-13-4-3-5-14(13)15(17)18/h12-15,18H,3-11H2,1-2H3/i11D2
InChIKeyMNTSPXMNTVBIRV-ZWGOZCLVSA-N
MW269.43 g/mol
LogP2.63
Rot. Bonds2

About 2-[dideuterio-(2,2-dimethyloxan-4-yl)methyl]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-1-ol

2-[dideuterio-(2,2-dimethyloxan-4-yl)methyl]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-1-ol (PubChem CID 175791609) has the molecular formula C16H29NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[dideuterio-(2,2-dimethyloxan-4-yl)methyl]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-1-ol.

Molecular Properties

Compound Name2-[dideuterio-(2,2-dimethyloxan-4-yl)methyl]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-1-ol
PubChem CID175791609
Molecular FormulaC16H29NO2
Molecular Weight269.43 g/mol
Exact Mass269.23
IUPAC Name2-[dideuterio-(2,2-dimethyloxan-4-yl)methyl]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-1-ol
SMILES[2H]C([2H])(C1CCOC(C)(C)C1)N1CCC2CCCC2C1O
InChIInChI=1S/C16H29NO2/c1-16(2)10-12(7-9-19-16)11-17-8-6-13-4-3-5-14(13)15(17)18/h12-15,18H,3-11H2,1-2H3/i11D2
InChIKeyMNTSPXMNTVBIRV-ZWGOZCLVSA-N
XLogP2.63
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[dideuterio-(2,2-dimethyloxan-4-yl)methyl]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-1-ol with MolForge

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Related Compounds

(2,2-dimethyloxan-4-yl)methyl-methylazanide
CID 155624773
(2,2-dimethyloxan-4-yl)methanamine
CID 13202183
2-[(4R)-2,2-dimethyloxan-4-yl]ethanamine
CID 919149
(2,2-dimethyloxan-4-yl)azanium chloride
CID 86675380
4-(2,2-dimethyloxan-4-yl)-1-(2-propan-2-yloxyethyl)piperidine
CID 145402953
[(3S)-5,5-dimethyloxolan-3-yl]methanol
CID 10796767
N-[[5-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
CID 125158123
N-[[1-(2,2-dimethyloxan-4-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 83028563
2-[1-(2,2-dimethyloxan-4-yl)piperidin-3-yl]acetic acid
CID 65060205
(4R)-4-methoxy-2,2-dimethyloxane
CID 170120982
1-benzyl-4-(2,2-dimethyloxan-4-yl)piperidine
CID 159650765
2-[1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-yl]acetic acid
CID 65067859

Frequently Asked Questions

What is the IUPAC name of 2-[dideuterio-(2,2-dimethyloxan-4-yl)methyl]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-1-ol?
The IUPAC name of 2-[dideuterio-(2,2-dimethyloxan-4-yl)methyl]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-1-ol (CID 175791609) is 2-[dideuterio-(2,2-dimethyloxan-4-yl)methyl]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-1-ol.
What is the SMILES notation for 2-[dideuterio-(2,2-dimethyloxan-4-yl)methyl]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-1-ol?
The canonical SMILES for 2-[dideuterio-(2,2-dimethyloxan-4-yl)methyl]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-1-ol is [2H]C([2H])(C1CCOC(C)(C)C1)N1CCC2CCCC2C1O.
What is the InChIKey of 2-[dideuterio-(2,2-dimethyloxan-4-yl)methyl]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-1-ol?
The InChIKey is MNTSPXMNTVBIRV-ZWGOZCLVSA-N. The full InChI is InChI=1S/C16H29NO2/c1-16(2)10-12(7-9-19-16)11-17-8-6-13-4-3-5-14(13)15(17)18/h12-15,18H,3-11H2,1-2H3/i11D2.
What are the key properties of 2-[dideuterio-(2,2-dimethyloxan-4-yl)methyl]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-1-ol?
2-[dideuterio-(2,2-dimethyloxan-4-yl)methyl]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-1-ol has a molecular weight of 269.43 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dideuterio-(2,2-dimethyloxan-4-yl)methyl]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-1-ol is sourced from PubChem (CID 175791609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).