2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethylcyclohexan-1-ol

C14H27NO3 — CID 103537746

IUPAC2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(N2CC(OC)C(OC)C2)C1
InChIInChI=1S/C14H27NO3/c1-4-10-5-6-12(16)11(7-10)15-8-13(17-2)14(9-15)18-3/h10-14,16H,4-9H2,1-3H3
InChIKeyMRGYHNXRHCJGPS-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.27
Rot. Bonds4

About 2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethylcyclohexan-1-ol

2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethylcyclohexan-1-ol (PubChem CID 103537746) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethylcyclohexan-1-ol
PubChem CID103537746
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(N2CC(OC)C(OC)C2)C1
InChIInChI=1S/C14H27NO3/c1-4-10-5-6-12(16)11(7-10)15-8-13(17-2)14(9-15)18-3/h10-14,16H,4-9H2,1-3H3
InChIKeyMRGYHNXRHCJGPS-UHFFFAOYSA-N
XLogP1.27
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethylcyclohexane-1-carboxylic acid
CID 103540460
2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethyl-N-propylcyclohexan-1-amine
CID 103532460
2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethylcyclohexan-1-ol
CID 63165668
2-(4-tert-butylpiperidin-1-yl)-4-ethylcyclohexan-1-ol
CID 63470965
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-ethylcyclohexan-1-ol
CID 79935309
4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexan-1-ol
CID 55116782
2-(3,4-dimethoxypyrrolidin-1-yl)-N-methyl-4-propylcyclohexan-1-amine
CID 103532456
4-ethyl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-ol
CID 63636104
4-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 102957789
4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexan-1-ol
CID 83221424
4-(3,4-dimethoxypyrrolidin-1-yl)-1,1-dioxothiolan-3-ol
CID 103536907
4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol
CID 103533926

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethylcyclohexan-1-ol?
The IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethylcyclohexan-1-ol (CID 103537746) is 2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethylcyclohexan-1-ol?
The canonical SMILES for 2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethylcyclohexan-1-ol is CCC1CCC(O)C(N2CC(OC)C(OC)C2)C1.
What is the InChIKey of 2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethylcyclohexan-1-ol?
The InChIKey is MRGYHNXRHCJGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-4-10-5-6-12(16)11(7-10)15-8-13(17-2)14(9-15)18-3/h10-14,16H,4-9H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethylcyclohexan-1-ol?
2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethylcyclohexan-1-ol has a molecular weight of 257.37 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 103537746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).