[(4R,4aS,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-4-yl]methanol

C11H21NO — CID 163082209

IUPAC[(4R,4aS,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-4-yl]methanol
SMILESC[C@H]1CC[C@@H]2[C@@H](CO)CN(C)C[C@H]21
InChIInChI=1S/C11H21NO/c1-8-3-4-10-9(7-13)5-12(2)6-11(8)10/h8-11,13H,3-7H2,1-2H3/t8-,9+,10+,11-/m0/s1
InChIKeyCRVXJVHSLVEDRI-ZDCRXTMVSA-N
MW183.29 g/mol
LogP1.20
Rot. Bonds1

About [(4R,4aS,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-4-yl]methanol

[(4R,4aS,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-4-yl]methanol (PubChem CID 163082209) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is [(4R,4aS,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-4-yl]methanol.

Molecular Properties

Compound Name[(4R,4aS,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-4-yl]methanol
PubChem CID163082209
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name[(4R,4aS,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-4-yl]methanol
SMILESC[C@H]1CC[C@@H]2[C@@H](CO)CN(C)C[C@H]21
InChIInChI=1S/C11H21NO/c1-8-3-4-10-9(7-13)5-12(2)6-11(8)10/h8-11,13H,3-7H2,1-2H3/t8-,9+,10+,11-/m0/s1
InChIKeyCRVXJVHSLVEDRI-ZDCRXTMVSA-N
XLogP1.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(4R,4aS,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-4-yl]methanol with MolForge

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Related Compounds

[(3S,4S)-1,3-dimethylpiperidin-4-yl]methanol
CID 59049778
[(3S,4R)-1,3-dimethylpiperidin-4-yl]methanol
CID 59049775
[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]methanol
CID 147748171
(4R)-3-(hydroxymethyl)-1-methylpiperidin-4-ol
CID 142983672
[(3R,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 177157260
(3R,4R,5R)-5-(hydroxymethyl)-1-methylpiperidine-3,4-diol;hydrochloride
CID 172714934
ethane;(4-methoxy-1-methylpyrrolidin-3-yl)methanol
CID 164904424
10-(hydroxymethyl)-4-methyl-4-azatricyclo[5.2.2.02,6]undecane-8,9-diol
CID 146675348
2-[4-(hydroxymethyl)-1-methylpyrrolidin-3-yl]propan-1-ol
CID 90337746
[(1S,2S)-2-methylcyclopropyl]methanol
CID 7869082
(3R,4R)-1,3,4-trimethylpyrrolidine
CID 58622802
1-[3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone
CID 130768808

Frequently Asked Questions

What is the IUPAC name of [(4R,4aS,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-4-yl]methanol?
The IUPAC name of [(4R,4aS,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-4-yl]methanol (CID 163082209) is [(4R,4aS,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-4-yl]methanol.
What is the SMILES notation for [(4R,4aS,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-4-yl]methanol?
The canonical SMILES for [(4R,4aS,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-4-yl]methanol is C[C@H]1CC[C@@H]2[C@@H](CO)CN(C)C[C@H]21.
What is the InChIKey of [(4R,4aS,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-4-yl]methanol?
The InChIKey is CRVXJVHSLVEDRI-ZDCRXTMVSA-N. The full InChI is InChI=1S/C11H21NO/c1-8-3-4-10-9(7-13)5-12(2)6-11(8)10/h8-11,13H,3-7H2,1-2H3/t8-,9+,10+,11-/m0/s1.
What are the key properties of [(4R,4aS,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-4-yl]methanol?
[(4R,4aS,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-4-yl]methanol has a molecular weight of 183.29 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,4aS,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-4-yl]methanol is sourced from PubChem (CID 163082209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).