1-(2-methylcyclopentyl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride

C18H36ClNO2 — CID 16875713

IUPAC1-(2-methylcyclopentyl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride
SMILESCC1CCCC1OCC(O)CN1C(C)(C)CCCC1(C)C.Cl
InChIInChI=1S/C18H35NO2.ClH/c1-14-8-6-9-16(14)21-13-15(20)12-19-17(2,3)10-7-11-18(19,4)5;/h14-16,20H,6-13H2,1-5H3;1H
InChIKeyVPUXVACARFGLPP-UHFFFAOYSA-N
MW333.94 g/mol
LogP4.02
Rot. Bonds5

About 1-(2-methylcyclopentyl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride

1-(2-methylcyclopentyl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride (PubChem CID 16875713) has the molecular formula C18H36ClNO2 and a molecular weight of 333.94 g/mol. Its IUPAC name is 1-(2-methylcyclopentyl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2-methylcyclopentyl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride
PubChem CID16875713
Molecular FormulaC18H36ClNO2
Molecular Weight333.94 g/mol
Exact Mass333.24
IUPAC Name1-(2-methylcyclopentyl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride
SMILESCC1CCCC1OCC(O)CN1C(C)(C)CCCC1(C)C.Cl
InChIInChI=1S/C18H35NO2.ClH/c1-14-8-6-9-16(14)21-13-15(20)12-19-17(2,3)10-7-11-18(19,4)5;/h14-16,20H,6-13H2,1-5H3;1H
InChIKeyVPUXVACARFGLPP-UHFFFAOYSA-N
XLogP4.02
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.94
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopentyl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride?
The IUPAC name of 1-(2-methylcyclopentyl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride (CID 16875713) is 1-(2-methylcyclopentyl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2-methylcyclopentyl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(2-methylcyclopentyl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride is CC1CCCC1OCC(O)CN1C(C)(C)CCCC1(C)C.Cl.
What is the InChIKey of 1-(2-methylcyclopentyl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride?
The InChIKey is VPUXVACARFGLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2.ClH/c1-14-8-6-9-16(14)21-13-15(20)12-19-17(2,3)10-7-11-18(19,4)5;/h14-16,20H,6-13H2,1-5H3;1H.
What are the key properties of 1-(2-methylcyclopentyl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride?
1-(2-methylcyclopentyl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride has a molecular weight of 333.94 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopentyl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride is sourced from PubChem (CID 16875713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).