(2,5-dimethoxy-4-pyrrolidin-1-ylcyclohexyl)methanol

C13H25NO3 — CID 162468760

IUPAC(2,5-dimethoxy-4-pyrrolidin-1-ylcyclohexyl)methanol
SMILESCOC1CC(N2CCCC2)C(OC)CC1CO
InChIInChI=1S/C13H25NO3/c1-16-12-8-11(14-5-3-4-6-14)13(17-2)7-10(12)9-15/h10-13,15H,3-9H2,1-2H3
InChIKeyQTOOSAQNMRQPQU-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.88
Rot. Bonds4

About (2,5-dimethoxy-4-pyrrolidin-1-ylcyclohexyl)methanol

(2,5-dimethoxy-4-pyrrolidin-1-ylcyclohexyl)methanol (PubChem CID 162468760) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (2,5-dimethoxy-4-pyrrolidin-1-ylcyclohexyl)methanol.

Molecular Properties

Compound Name(2,5-dimethoxy-4-pyrrolidin-1-ylcyclohexyl)methanol
PubChem CID162468760
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name(2,5-dimethoxy-4-pyrrolidin-1-ylcyclohexyl)methanol
SMILESCOC1CC(N2CCCC2)C(OC)CC1CO
InChIInChI=1S/C13H25NO3/c1-16-12-8-11(14-5-3-4-6-14)13(17-2)7-10(12)9-15/h10-13,15H,3-9H2,1-2H3
InChIKeyQTOOSAQNMRQPQU-UHFFFAOYSA-N
XLogP0.88
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,5-Bis(hydroxymethyl)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 123471578
trans-(1R,2R)-5,5-bis(hydroxymethyl)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 126635644
2,5-diethoxy-N,N-diethyl-4-methylcyclohexan-1-amine
CID 140426215
(2-Methoxy-4-pyrrolidin-1-ylcyclohexyl)methanol
CID 162468757
2-(3-Methoxypiperidin-1-yl)-6-methylcyclohexane-1,4-diol
CID 171538548

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxy-4-pyrrolidin-1-ylcyclohexyl)methanol?
The IUPAC name of (2,5-dimethoxy-4-pyrrolidin-1-ylcyclohexyl)methanol (CID 162468760) is (2,5-dimethoxy-4-pyrrolidin-1-ylcyclohexyl)methanol.
What is the SMILES notation for (2,5-dimethoxy-4-pyrrolidin-1-ylcyclohexyl)methanol?
The canonical SMILES for (2,5-dimethoxy-4-pyrrolidin-1-ylcyclohexyl)methanol is COC1CC(N2CCCC2)C(OC)CC1CO.
What is the InChIKey of (2,5-dimethoxy-4-pyrrolidin-1-ylcyclohexyl)methanol?
The InChIKey is QTOOSAQNMRQPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-16-12-8-11(14-5-3-4-6-14)13(17-2)7-10(12)9-15/h10-13,15H,3-9H2,1-2H3.
What are the key properties of (2,5-dimethoxy-4-pyrrolidin-1-ylcyclohexyl)methanol?
(2,5-dimethoxy-4-pyrrolidin-1-ylcyclohexyl)methanol has a molecular weight of 243.35 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxy-4-pyrrolidin-1-ylcyclohexyl)methanol is sourced from PubChem (CID 162468760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).