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

C14H28ClNO2 — CID 16876971

IUPAC1-cyclopentyloxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride
SMILESCC1CCN(CC(O)COC2CCCC2)CC1.Cl
InChIInChI=1S/C14H27NO2.ClH/c1-12-6-8-15(9-7-12)10-13(16)11-17-14-4-2-3-5-14;/h12-14,16H,2-11H2,1H3;1H
InChIKeyAAFLHJSVKJLQAO-UHFFFAOYSA-N
MW277.84 g/mol
LogP2.46
Rot. Bonds5

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

1-cyclopentyloxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride (PubChem CID 16876971) has the molecular formula C14H28ClNO2 and a molecular weight of 277.84 g/mol. Its IUPAC name is 1-cyclopentyloxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-cyclopentyloxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride
PubChem CID16876971
Molecular FormulaC14H28ClNO2
Molecular Weight277.84 g/mol
Exact Mass277.18
IUPAC Name1-cyclopentyloxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride
SMILESCC1CCN(CC(O)COC2CCCC2)CC1.Cl
InChIInChI=1S/C14H27NO2.ClH/c1-12-6-8-15(9-7-12)10-13(16)11-17-14-4-2-3-5-14;/h12-14,16H,2-11H2,1H3;1H
InChIKeyAAFLHJSVKJLQAO-UHFFFAOYSA-N
XLogP2.46
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride?
The IUPAC name of 1-cyclopentyloxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride (CID 16876971) is 1-cyclopentyloxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-cyclopentyloxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-cyclopentyloxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride is CC1CCN(CC(O)COC2CCCC2)CC1.Cl.
What is the InChIKey of 1-cyclopentyloxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride?
The InChIKey is AAFLHJSVKJLQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2.ClH/c1-12-6-8-15(9-7-12)10-13(16)11-17-14-4-2-3-5-14;/h12-14,16H,2-11H2,1H3;1H.
What are the key properties of 1-cyclopentyloxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride?
1-cyclopentyloxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride has a molecular weight of 277.84 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride is sourced from PubChem (CID 16876971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).