1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C16H34N2O2 — CID 110900549

IUPAC1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCN(C)CCC1CCN(CC(O)COC(C)(C)C)CC1
InChIInChI=1S/C16H34N2O2/c1-16(2,3)20-13-15(19)12-18-10-7-14(8-11-18)6-9-17(4)5/h14-15,19H,6-13H2,1-5H3
InChIKeyKORBKMYEWKEYRB-UHFFFAOYSA-N
MW286.46 g/mol
LogP1.83
Rot. Bonds7

About 1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 110900549) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID110900549
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCN(C)CCC1CCN(CC(O)COC(C)(C)C)CC1
InChIInChI=1S/C16H34N2O2/c1-16(2,3)20-13-15(19)12-18-10-7-14(8-11-18)6-9-17(4)5/h14-15,19H,6-13H2,1-5H3
InChIKeyKORBKMYEWKEYRB-UHFFFAOYSA-N
XLogP1.83
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methylpropan-2-yl)oxy]-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol
CID 110898534
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111442666
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111116658
1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 110900550
(2R)-1-(4-benzylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 40786891
(2S)-1-(4-cyclopropyl-1,4-diazepan-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 97210895
1-[4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 110012066
1-[4-(2,2-difluoroethyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 48966438
1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 110910993
1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63987820
(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 8741516
1-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propan-1-one
CID 110923003

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 110900549) is 1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is CN(C)CCC1CCN(CC(O)COC(C)(C)C)CC1.
What is the InChIKey of 1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is KORBKMYEWKEYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-16(2,3)20-13-15(19)12-18-10-7-14(8-11-18)6-9-17(4)5/h14-15,19H,6-13H2,1-5H3.
What are the key properties of 1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 286.46 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 110900549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).