2-methyl-2-(4-methyl-4-phenoxypiperidin-1-yl)propan-1-ol

C16H25NO2 — CID 121418672

IUPAC2-methyl-2-(4-methyl-4-phenoxypiperidin-1-yl)propan-1-ol
SMILESCC1(Oc2ccccc2)CCN(C(C)(C)CO)CC1
InChIInChI=1S/C16H25NO2/c1-15(2,13-18)17-11-9-16(3,10-12-17)19-14-7-5-4-6-8-14/h4-8,18H,9-13H2,1-3H3
InChIKeyIKTIYDKKBBYDSX-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.69
Rot. Bonds4

About 2-methyl-2-(4-methyl-4-phenoxypiperidin-1-yl)propan-1-ol

2-methyl-2-(4-methyl-4-phenoxypiperidin-1-yl)propan-1-ol (PubChem CID 121418672) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-methyl-2-(4-methyl-4-phenoxypiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(4-methyl-4-phenoxypiperidin-1-yl)propan-1-ol
PubChem CID121418672
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-methyl-2-(4-methyl-4-phenoxypiperidin-1-yl)propan-1-ol
SMILESCC1(Oc2ccccc2)CCN(C(C)(C)CO)CC1
InChIInChI=1S/C16H25NO2/c1-15(2,13-18)17-11-9-16(3,10-12-17)19-14-7-5-4-6-8-14/h4-8,18H,9-13H2,1-3H3
InChIKeyIKTIYDKKBBYDSX-UHFFFAOYSA-N
XLogP2.69
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-1-phenoxycycloheptane
CID 101026780
1-ethyl-3-methyl-3-phenoxypyrrolidine
CID 160635374
methyl 2-bromo-2-methylpropanoate;methyl 2-methyl-2-(4-methyl-4-phenoxypiperidin-1-yl)propanoate;4-methyl-4-phenoxypiperidine;hydrochloride
CID 161342982
tert-butyl 4-methyl-4-phenoxypiperidine-1-carboxylate;methane;4-methyl-4-phenoxypiperidine;hydrochloride
CID 160573950
1-methyl-4-phenoxypiperidin-4-ol
CID 10584455
2-methyl-2-[4-[(2-phenylcyclopropyl)methyl]piperazin-1-yl]propan-1-ol
CID 154859097
4-(4-chlorophenoxy)-4-methyl-1-(4-phenoxybutyl)piperidine
CID 121418465
1-[2-(2-ethenylphenoxy)ethyl]-4-methyl-4-phenoxypiperidine
CID 121429936
3-[3-(4-methyl-4-phenoxypiperidin-1-yl)-2-(trifluoromethyl)phenyl]propanal
CID 121418344
ethane;bis(2-methylbutan-2-yloxybenzene);bis((1-methylcyclohexyl)oxybenzene);bis((1-methylcyclopentyl)oxybenzene);bis(2-methylpentan-2-yloxybenzene);(2-methylpropan-2-yl)oxybenzene;methylsilane
CID 160587533
1-[3-(1,4-dimethylpiperidin-4-yl)oxyphenyl]ethanone
CID 117051921
tert-butyl 3-methyl-3-(2-phenoxyethoxy)pyrrolidine-1-carboxylate
CID 103916198

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methyl-4-phenoxypiperidin-1-yl)propan-1-ol?
The IUPAC name of 2-methyl-2-(4-methyl-4-phenoxypiperidin-1-yl)propan-1-ol (CID 121418672) is 2-methyl-2-(4-methyl-4-phenoxypiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-2-(4-methyl-4-phenoxypiperidin-1-yl)propan-1-ol?
The canonical SMILES for 2-methyl-2-(4-methyl-4-phenoxypiperidin-1-yl)propan-1-ol is CC1(Oc2ccccc2)CCN(C(C)(C)CO)CC1.
What is the InChIKey of 2-methyl-2-(4-methyl-4-phenoxypiperidin-1-yl)propan-1-ol?
The InChIKey is IKTIYDKKBBYDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-15(2,13-18)17-11-9-16(3,10-12-17)19-14-7-5-4-6-8-14/h4-8,18H,9-13H2,1-3H3.
What are the key properties of 2-methyl-2-(4-methyl-4-phenoxypiperidin-1-yl)propan-1-ol?
2-methyl-2-(4-methyl-4-phenoxypiperidin-1-yl)propan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methyl-4-phenoxypiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 121418672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).