1-(3,5-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol;hydrochloride

C17H28ClNO2 — CID 2874628

IUPAC1-(3,5-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol;hydrochloride
SMILESCC1CC(C)CN(CC(O)COCc2ccccc2)C1.Cl
InChIInChI=1S/C17H27NO2.ClH/c1-14-8-15(2)10-18(9-14)11-17(19)13-20-12-16-6-4-3-5-7-16;/h3-7,14-15,17,19H,8-13H2,1-2H3;1H
InChIKeyPGIYCWWKKAUQAB-UHFFFAOYSA-N
MW313.87 g/mol
LogP2.96
Rot. Bonds6

About 1-(3,5-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol;hydrochloride

1-(3,5-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol;hydrochloride (PubChem CID 2874628) has the molecular formula C17H28ClNO2 and a molecular weight of 313.87 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol;hydrochloride
PubChem CID2874628
Molecular FormulaC17H28ClNO2
Molecular Weight313.87 g/mol
Exact Mass313.18
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol;hydrochloride
SMILESCC1CC(C)CN(CC(O)COCc2ccccc2)C1.Cl
InChIInChI=1S/C17H27NO2.ClH/c1-14-8-15(2)10-18(9-14)11-17(19)13-20-12-16-6-4-3-5-7-16;/h3-7,14-15,17,19H,8-13H2,1-2H3;1H
InChIKeyPGIYCWWKKAUQAB-UHFFFAOYSA-N
XLogP2.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.87
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol;hydrochloride?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol;hydrochloride (CID 2874628) is 1-(3,5-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol;hydrochloride?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol;hydrochloride is CC1CC(C)CN(CC(O)COCc2ccccc2)C1.Cl.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol;hydrochloride?
The InChIKey is PGIYCWWKKAUQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2.ClH/c1-14-8-15(2)10-18(9-14)11-17(19)13-20-12-16-6-4-3-5-7-16;/h3-7,14-15,17,19H,8-13H2,1-2H3;1H.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol;hydrochloride?
1-(3,5-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol;hydrochloride has a molecular weight of 313.87 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol;hydrochloride is sourced from PubChem (CID 2874628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).