3-(3,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol

C12H23NO — CID 79619224

IUPAC3-(3,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol
SMILESCC1CN(C2CCCC(O)C2)CC1C
InChIInChI=1S/C12H23NO/c1-9-7-13(8-10(9)2)11-4-3-5-12(14)6-11/h9-12,14H,3-8H2,1-2H3
InChIKeyQTYKOFJIOITMDT-UHFFFAOYSA-N
MW197.32 g/mol
LogP1.88
Rot. Bonds1

About 3-(3,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol

3-(3,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol (PubChem CID 79619224) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-(3,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(3,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol
PubChem CID79619224
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-(3,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol
SMILESCC1CN(C2CCCC(O)C2)CC1C
InChIInChI=1S/C12H23NO/c1-9-7-13(8-10(9)2)11-4-3-5-12(14)6-11/h9-12,14H,3-8H2,1-2H3
InChIKeyQTYKOFJIOITMDT-UHFFFAOYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-3,5-dimethylpiperidin-4-ol
CID 170614269
3-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol
CID 79619325
3-[3-(2-methoxyphenoxy)azetidin-1-yl]cyclohexan-1-ol
CID 163258410
cis-(1R,3S)-cyclohexane-1,3-diol
CID 6432741
trans-(1R,3R)-cyclohexane-1,3-diol
CID 6950744
1-cyclopentylazetidin-3-ol
CID 56828199
1-(3-ethylcyclohexyl)-3-methylpiperidin-4-ol
CID 114502422
ethane;(1R)-3-methylcyclohexan-1-ol
CID 145275507
(1S,5R)-13-azatricyclo[7.3.1.05,13]tridecan-3-ol
CID 131019218
1-(3-aminocyclohexyl)pyrrolidine-3,4-diol
CID 106674357
potassium cyclohexane-1,3-diol
CID 22067166
cis-(1S,3R)-cyclohexane-1,3-diol;copper
CID 68514238

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol?
The IUPAC name of 3-(3,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol (CID 79619224) is 3-(3,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 3-(3,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol?
The canonical SMILES for 3-(3,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol is CC1CN(C2CCCC(O)C2)CC1C.
What is the InChIKey of 3-(3,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol?
The InChIKey is QTYKOFJIOITMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9-7-13(8-10(9)2)11-4-3-5-12(14)6-11/h9-12,14H,3-8H2,1-2H3.
What are the key properties of 3-(3,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol?
3-(3,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 79619224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).