1-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]propan-2-ol

C17H27NO2 — CID 162976549

IUPAC1-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCC(CC(O)c2ccccc2)N1C
InChIInChI=1S/C17H27NO2/c1-13(19)11-15-9-6-10-16(18(15)2)12-17(20)14-7-4-3-5-8-14/h3-5,7-8,13,15-17,19-20H,6,9-12H2,1-2H3
InChIKeyVYSOSWOCGBPIDU-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.73
Rot. Bonds5

About 1-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]propan-2-ol

1-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]propan-2-ol (PubChem CID 162976549) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]propan-2-ol
PubChem CID162976549
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCC(CC(O)c2ccccc2)N1C
InChIInChI=1S/C17H27NO2/c1-13(19)11-15-9-6-10-16(18(15)2)12-17(20)14-7-4-3-5-8-14/h3-5,7-8,13,15-17,19-20H,6,9-12H2,1-2H3
InChIKeyVYSOSWOCGBPIDU-UHFFFAOYSA-N
XLogP2.73
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Trihexyphenidyl
CID 5572
Pridinol
CID 4904
Trihexyphenidyl Hydrochloride
CID 66007
Diphenidol
CID 3055
Glemanserin
CID 71781
Cycrimine
CID 2911
N-Methylephedrine
CID 4374
Methylephedrine
CID 64782
Tridihexethyl
CID 20299
Tridihexethyl Chloride
CID 20298
Cycrimine Hydrochloride
CID 101597
Cinnamedrine
CID 5370611

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]propan-2-ol?
The IUPAC name of 1-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]propan-2-ol (CID 162976549) is 1-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]propan-2-ol is CC(O)CC1CCCC(CC(O)c2ccccc2)N1C.
What is the InChIKey of 1-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]propan-2-ol?
The InChIKey is VYSOSWOCGBPIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(19)11-15-9-6-10-16(18(15)2)12-17(20)14-7-4-3-5-8-14/h3-5,7-8,13,15-17,19-20H,6,9-12H2,1-2H3.
What are the key properties of 1-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]propan-2-ol?
1-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]propan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]propan-2-ol is sourced from PubChem (CID 162976549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).