(3-methoxypyrrolidin-1-yl)-(4-methylcyclohexyl)methanol

C13H25NO2 — CID 123280824

IUPAC(3-methoxypyrrolidin-1-yl)-(4-methylcyclohexyl)methanol
SMILESCOC1CCN(C(O)C2CCC(C)CC2)C1
InChIInChI=1S/C13H25NO2/c1-10-3-5-11(6-4-10)13(15)14-8-7-12(9-14)16-2/h10-13,15H,3-9H2,1-2H3
InChIKeyVVPGUYANBFLOEL-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.85
Rot. Bonds3

About (3-methoxypyrrolidin-1-yl)-(4-methylcyclohexyl)methanol

(3-methoxypyrrolidin-1-yl)-(4-methylcyclohexyl)methanol (PubChem CID 123280824) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (3-methoxypyrrolidin-1-yl)-(4-methylcyclohexyl)methanol.

Molecular Properties

Compound Name(3-methoxypyrrolidin-1-yl)-(4-methylcyclohexyl)methanol
PubChem CID123280824
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(3-methoxypyrrolidin-1-yl)-(4-methylcyclohexyl)methanol
SMILESCOC1CCN(C(O)C2CCC(C)CC2)C1
InChIInChI=1S/C13H25NO2/c1-10-3-5-11(6-4-10)13(15)14-8-7-12(9-14)16-2/h10-13,15H,3-9H2,1-2H3
InChIKeyVVPGUYANBFLOEL-UHFFFAOYSA-N
XLogP1.85
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methoxypyrrolidin-1-yl)-(4-methylcyclohexyl)methanol?
The IUPAC name of (3-methoxypyrrolidin-1-yl)-(4-methylcyclohexyl)methanol (CID 123280824) is (3-methoxypyrrolidin-1-yl)-(4-methylcyclohexyl)methanol.
What is the SMILES notation for (3-methoxypyrrolidin-1-yl)-(4-methylcyclohexyl)methanol?
The canonical SMILES for (3-methoxypyrrolidin-1-yl)-(4-methylcyclohexyl)methanol is COC1CCN(C(O)C2CCC(C)CC2)C1.
What is the InChIKey of (3-methoxypyrrolidin-1-yl)-(4-methylcyclohexyl)methanol?
The InChIKey is VVPGUYANBFLOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10-3-5-11(6-4-10)13(15)14-8-7-12(9-14)16-2/h10-13,15H,3-9H2,1-2H3.
What are the key properties of (3-methoxypyrrolidin-1-yl)-(4-methylcyclohexyl)methanol?
(3-methoxypyrrolidin-1-yl)-(4-methylcyclohexyl)methanol has a molecular weight of 227.35 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypyrrolidin-1-yl)-(4-methylcyclohexyl)methanol is sourced from PubChem (CID 123280824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).