1-(2,3-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol

C16H25NO — CID 55068472

IUPAC1-(2,3-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol
SMILESCC1CCCN(CC(C)(O)c2ccccc2)C1C
InChIInChI=1S/C16H25NO/c1-13-8-7-11-17(14(13)2)12-16(3,18)15-9-5-4-6-10-15/h4-6,9-10,13-14,18H,7-8,11-12H2,1-3H3
InChIKeyMWRBVXVFUBXACK-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.01
Rot. Bonds3

About 1-(2,3-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol

1-(2,3-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol (PubChem CID 55068472) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(2,3-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(2,3-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol
PubChem CID55068472
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(2,3-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol
SMILESCC1CCCN(CC(C)(O)c2ccccc2)C1C
InChIInChI=1S/C16H25NO/c1-13-8-7-11-17(14(13)2)12-16(3,18)15-9-5-4-6-10-15/h4-6,9-10,13-14,18H,7-8,11-12H2,1-3H3
InChIKeyMWRBVXVFUBXACK-UHFFFAOYSA-N
XLogP3.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylpropan-2-ol
CID 113285351
1-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]ethanone
CID 63846895
1-(2,3-dimethylpiperidin-1-yl)-2-methylbutan-2-ol
CID 114495572
2-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]acetic acid
CID 62373379
1-[2-(2-hydroxypropyl)azepan-1-yl]-2-phenylpropan-2-ol
CID 114338665
3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol
CID 62272069
(2S,3R)-2,3-dimethyl-1-(3-phenylprop-2-ynyl)piperidine
CID 11021734
1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol
CID 79917568
2-phenyl-1-[2-(propylaminomethyl)piperidin-1-yl]propan-2-ol
CID 63848691
(2R,3S)-2,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidine
CID 152872015
3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-amine
CID 62256698
4-(2,3-dimethylpiperidin-1-yl)-2-(methylamino)-2-phenylbutanenitrile
CID 116692549

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol?
The IUPAC name of 1-(2,3-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol (CID 55068472) is 1-(2,3-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(2,3-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol?
The canonical SMILES for 1-(2,3-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol is CC1CCCN(CC(C)(O)c2ccccc2)C1C.
What is the InChIKey of 1-(2,3-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol?
The InChIKey is MWRBVXVFUBXACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-8-7-11-17(14(13)2)12-16(3,18)15-9-5-4-6-10-15/h4-6,9-10,13-14,18H,7-8,11-12H2,1-3H3.
What are the key properties of 1-(2,3-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol?
1-(2,3-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol has a molecular weight of 247.38 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol is sourced from PubChem (CID 55068472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).