1-(4-tert-butylcyclohexyl)oxy-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride

C17H34ClNO2 — CID 2882788

IUPAC1-(4-tert-butylcyclohexyl)oxy-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
SMILESCC(C)(C)C1CCC(OCC(O)CN2CCCC2)CC1.Cl
InChIInChI=1S/C17H33NO2.ClH/c1-17(2,3)14-6-8-16(9-7-14)20-13-15(19)12-18-10-4-5-11-18;/h14-16,19H,4-13H2,1-3H3;1H
InChIKeyOBIZNHATDRLJLC-UHFFFAOYSA-N
MW319.92 g/mol
LogP3.49
Rot. Bonds5

About 1-(4-tert-butylcyclohexyl)oxy-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride

1-(4-tert-butylcyclohexyl)oxy-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride (PubChem CID 2882788) has the molecular formula C17H34ClNO2 and a molecular weight of 319.92 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)oxy-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)oxy-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
PubChem CID2882788
Molecular FormulaC17H34ClNO2
Molecular Weight319.92 g/mol
Exact Mass319.23
IUPAC Name1-(4-tert-butylcyclohexyl)oxy-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
SMILESCC(C)(C)C1CCC(OCC(O)CN2CCCC2)CC1.Cl
InChIInChI=1S/C17H33NO2.ClH/c1-17(2,3)14-6-8-16(9-7-14)20-13-15(19)12-18-10-4-5-11-18;/h14-16,19H,4-13H2,1-3H3;1H
InChIKeyOBIZNHATDRLJLC-UHFFFAOYSA-N
XLogP3.49
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.92
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)oxy-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride?
The IUPAC name of 1-(4-tert-butylcyclohexyl)oxy-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride (CID 2882788) is 1-(4-tert-butylcyclohexyl)oxy-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)oxy-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)oxy-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride is CC(C)(C)C1CCC(OCC(O)CN2CCCC2)CC1.Cl.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)oxy-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride?
The InChIKey is OBIZNHATDRLJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2.ClH/c1-17(2,3)14-6-8-16(9-7-14)20-13-15(19)12-18-10-4-5-11-18;/h14-16,19H,4-13H2,1-3H3;1H.
What are the key properties of 1-(4-tert-butylcyclohexyl)oxy-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride?
1-(4-tert-butylcyclohexyl)oxy-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride has a molecular weight of 319.92 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)oxy-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride is sourced from PubChem (CID 2882788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).