1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol

C19H31NO3 — CID 78895879

IUPAC1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
SMILESCc1ccc(OC2CCN(CC(O)COC(C)C)CC2)cc1C
InChIInChI=1S/C19H31NO3/c1-14(2)22-13-17(21)12-20-9-7-18(8-10-20)23-19-6-5-15(3)16(4)11-19/h5-6,11,14,17-18,21H,7-10,12-13H2,1-4H3
InChIKeyDYRFWGYEWHWIJB-UHFFFAOYSA-N
MW321.46 g/mol
LogP2.93
Rot. Bonds7

About 1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol

1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol (PubChem CID 78895879) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is 1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
PubChem CID78895879
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
SMILESCc1ccc(OC2CCN(CC(O)COC(C)C)CC2)cc1C
InChIInChI=1S/C19H31NO3/c1-14(2)22-13-17(21)12-20-9-7-18(8-10-20)23-19-6-5-15(3)16(4)11-19/h5-6,11,14,17-18,21H,7-10,12-13H2,1-4H3
InChIKeyDYRFWGYEWHWIJB-UHFFFAOYSA-N
XLogP2.93
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol with MolForge

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Related Compounds

1-(3,4-dimethylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol chloride
CID 21237821
1-(3,4-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 2881965
(2S)-1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-2-ethoxypropan-1-one
CID 124507229
1-(3,4-dimethylphenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 2882798
(2S)-1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 692870
1-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 141041950
[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 78903776
1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 141041912
(2S)-4,4,4-trifluoro-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-2-ol
CID 124621263
1-[4-(4-ethoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 3809225
N-[(2R)-3-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-2-hydroxypropyl]-2-oxo-4-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-carboxamide
CID 143084956
1-[4-[1-(methylamino)ethyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63987782

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol (CID 78895879) is 1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol is Cc1ccc(OC2CCN(CC(O)COC(C)C)CC2)cc1C.
What is the InChIKey of 1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol?
The InChIKey is DYRFWGYEWHWIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-14(2)22-13-17(21)12-20-9-7-18(8-10-20)23-19-6-5-15(3)16(4)11-19/h5-6,11,14,17-18,21H,7-10,12-13H2,1-4H3.
What are the key properties of 1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol?
1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol has a molecular weight of 321.46 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 78895879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).