[1-(2-cyclohexylethyl)-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol

C16H31NO2 — CID 123501297

IUPAC[1-(2-cyclohexylethyl)-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
SMILESCC1(CO)CN(CCC2CCCCC2)CC1(C)CO
InChIInChI=1S/C16H31NO2/c1-15(12-18)10-17(11-16(15,2)13-19)9-8-14-6-4-3-5-7-14/h14,18-19H,3-13H2,1-2H3
InChIKeyMPQYSBJZFPRHTP-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.27
Rot. Bonds5

About [1-(2-cyclohexylethyl)-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol

[1-(2-cyclohexylethyl)-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol (PubChem CID 123501297) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is [1-(2-cyclohexylethyl)-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-cyclohexylethyl)-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
PubChem CID123501297
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name[1-(2-cyclohexylethyl)-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
SMILESCC1(CO)CN(CCC2CCCCC2)CC1(C)CO
InChIInChI=1S/C16H31NO2/c1-15(12-18)10-17(11-16(15,2)13-19)9-8-14-6-4-3-5-7-14/h14,18-19H,3-13H2,1-2H3
InChIKeyMPQYSBJZFPRHTP-UHFFFAOYSA-N
XLogP2.27
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-cyclohexylethyl)-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol?
The IUPAC name of [1-(2-cyclohexylethyl)-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol (CID 123501297) is [1-(2-cyclohexylethyl)-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(2-cyclohexylethyl)-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(2-cyclohexylethyl)-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol is CC1(CO)CN(CCC2CCCCC2)CC1(C)CO.
What is the InChIKey of [1-(2-cyclohexylethyl)-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol?
The InChIKey is MPQYSBJZFPRHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-15(12-18)10-17(11-16(15,2)13-19)9-8-14-6-4-3-5-7-14/h14,18-19H,3-13H2,1-2H3.
What are the key properties of [1-(2-cyclohexylethyl)-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol?
[1-(2-cyclohexylethyl)-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol has a molecular weight of 269.43 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-cyclohexylethyl)-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 123501297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).