1-(3-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol;hydrochloride

C16H26ClNO2 — CID 2882426

IUPAC1-(3-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol;hydrochloride
SMILESCC1CCCN(CC(O)COCc2ccccc2)C1.Cl
InChIInChI=1S/C16H25NO2.ClH/c1-14-6-5-9-17(10-14)11-16(18)13-19-12-15-7-3-2-4-8-15;/h2-4,7-8,14,16,18H,5-6,9-13H2,1H3;1H
InChIKeyJOXJFZPFHBOGND-UHFFFAOYSA-N
MW299.84 g/mol
LogP2.72
Rot. Bonds6

About 1-(3-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol;hydrochloride

1-(3-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol;hydrochloride (PubChem CID 2882426) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 1-(3-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(3-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol;hydrochloride
PubChem CID2882426
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name1-(3-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol;hydrochloride
SMILESCC1CCCN(CC(O)COCc2ccccc2)C1.Cl
InChIInChI=1S/C16H25NO2.ClH/c1-14-6-5-9-17(10-14)11-16(18)13-19-12-15-7-3-2-4-8-15;/h2-4,7-8,14,16,18H,5-6,9-13H2,1H3;1H
InChIKeyJOXJFZPFHBOGND-UHFFFAOYSA-N
XLogP2.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol;hydrochloride?
The IUPAC name of 1-(3-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol;hydrochloride (CID 2882426) is 1-(3-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(3-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol;hydrochloride?
The canonical SMILES for 1-(3-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol;hydrochloride is CC1CCCN(CC(O)COCc2ccccc2)C1.Cl.
What is the InChIKey of 1-(3-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol;hydrochloride?
The InChIKey is JOXJFZPFHBOGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2.ClH/c1-14-6-5-9-17(10-14)11-16(18)13-19-12-15-7-3-2-4-8-15;/h2-4,7-8,14,16,18H,5-6,9-13H2,1H3;1H.
What are the key properties of 1-(3-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol;hydrochloride?
1-(3-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol;hydrochloride has a molecular weight of 299.84 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol;hydrochloride is sourced from PubChem (CID 2882426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).