1-(2-methylcyclopentyl)oxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride

C15H30ClNO2 — CID 18592907

IUPAC1-(2-methylcyclopentyl)oxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride
SMILESCC1CCN(CC(O)COC2CCCC2C)CC1.Cl
InChIInChI=1S/C15H29NO2.ClH/c1-12-6-8-16(9-7-12)10-14(17)11-18-15-5-3-4-13(15)2;/h12-15,17H,3-11H2,1-2H3;1H
InChIKeyJRWZMXPAGYMEQW-UHFFFAOYSA-N
MW291.86 g/mol
LogP2.71
Rot. Bonds5

About 1-(2-methylcyclopentyl)oxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride

1-(2-methylcyclopentyl)oxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride (PubChem CID 18592907) has the molecular formula C15H30ClNO2 and a molecular weight of 291.86 g/mol. Its IUPAC name is 1-(2-methylcyclopentyl)oxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2-methylcyclopentyl)oxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride
PubChem CID18592907
Molecular FormulaC15H30ClNO2
Molecular Weight291.86 g/mol
Exact Mass291.20
IUPAC Name1-(2-methylcyclopentyl)oxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride
SMILESCC1CCN(CC(O)COC2CCCC2C)CC1.Cl
InChIInChI=1S/C15H29NO2.ClH/c1-12-6-8-16(9-7-12)10-14(17)11-18-15-5-3-4-13(15)2;/h12-15,17H,3-11H2,1-2H3;1H
InChIKeyJRWZMXPAGYMEQW-UHFFFAOYSA-N
XLogP2.71
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.86
LogP ≤ 52.71
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-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride?
The IUPAC name of 1-(2-methylcyclopentyl)oxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride (CID 18592907) is 1-(2-methylcyclopentyl)oxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2-methylcyclopentyl)oxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(2-methylcyclopentyl)oxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride is CC1CCN(CC(O)COC2CCCC2C)CC1.Cl.
What is the InChIKey of 1-(2-methylcyclopentyl)oxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride?
The InChIKey is JRWZMXPAGYMEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2.ClH/c1-12-6-8-16(9-7-12)10-14(17)11-18-15-5-3-4-13(15)2;/h12-15,17H,3-11H2,1-2H3;1H.
What are the key properties of 1-(2-methylcyclopentyl)oxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride?
1-(2-methylcyclopentyl)oxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride has a molecular weight of 291.86 g/mol, XLogP of 2.71, 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-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride is sourced from PubChem (CID 18592907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).