2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-(4-methylphenyl)ethanol

C16H25NO — CID 113246645

IUPAC2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)CN2[C@H](C)CCC[C@@H]2C)cc1
InChIInChI=1S/C16H25NO/c1-12-7-9-15(10-8-12)16(18)11-17-13(2)5-4-6-14(17)3/h7-10,13-14,16,18H,4-6,11H2,1-3H3/t13-,14+,16?
InChIKeyPFYNZNALPULPHO-MZBDJJRSSA-N
MW247.38 g/mol
LogP3.29
Rot. Bonds3

About 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-(4-methylphenyl)ethanol

2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-(4-methylphenyl)ethanol (PubChem CID 113246645) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-(4-methylphenyl)ethanol
PubChem CID113246645
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)CN2[C@H](C)CCC[C@@H]2C)cc1
InChIInChI=1S/C16H25NO/c1-12-7-9-15(10-8-12)16(18)11-17-13(2)5-4-6-14(17)3/h7-10,13-14,16,18H,4-6,11H2,1-3H3/t13-,14+,16?
InChIKeyPFYNZNALPULPHO-MZBDJJRSSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-(2,6-dimethylpiperidin-1-yl)-1-hydroxyethyl]phenyl]acetamide
CID 82216315
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-yl] 4-methylbenzoate
CID 11870139
2-(2,6-dimethylpiperidin-1-yl)-1-pyridin-2-ylethanol
CID 82216604
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-naphthalen-1-ylethanol
CID 104968503
(2S)-1-(2,6-dimethylpiperidin-1-yl)propan-2-ol
CID 103934908
(2S)-1-(2,4-dimethylphenoxy)-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 11863217
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethanol
CID 83221740
1-[4-(aminomethyl)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanol
CID 83227590
(1S)-1-(4-fluorophenyl)-2-[(2R)-2-methylpyrrolidin-1-yl]ethanol
CID 129392359
(1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol
CID 39350104
(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 34065291

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-(4-methylphenyl)ethanol?
The IUPAC name of 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-(4-methylphenyl)ethanol (CID 113246645) is 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-(4-methylphenyl)ethanol?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-(4-methylphenyl)ethanol is Cc1ccc(C(O)CN2[C@H](C)CCC[C@@H]2C)cc1.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-(4-methylphenyl)ethanol?
The InChIKey is PFYNZNALPULPHO-MZBDJJRSSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-7-9-15(10-8-12)16(18)11-17-13(2)5-4-6-14(17)3/h7-10,13-14,16,18H,4-6,11H2,1-3H3/t13-,14+,16?.
What are the key properties of 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-(4-methylphenyl)ethanol?
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-(4-methylphenyl)ethanol has a molecular weight of 247.38 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 113246645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).