1-[3-(dimethylamino)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol

C13H28N2O2 — CID 63950586

IUPAC1-[3-(dimethylamino)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN1CCCC(N(C)C)C1
InChIInChI=1S/C13H28N2O2/c1-11(2)17-10-13(16)9-15-7-5-6-12(8-15)14(3)4/h11-13,16H,5-10H2,1-4H3
InChIKeyMWYJXRGTXGNTKY-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.80
Rot. Bonds6

About 1-[3-(dimethylamino)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol

1-[3-(dimethylamino)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol (PubChem CID 63950586) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[3-(dimethylamino)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[3-(dimethylamino)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
PubChem CID63950586
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-[3-(dimethylamino)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN1CCCC(N(C)C)C1
InChIInChI=1S/C13H28N2O2/c1-11(2)17-10-13(16)9-15-7-5-6-12(8-15)14(3)4/h11-13,16H,5-10H2,1-4H3
InChIKeyMWYJXRGTXGNTKY-UHFFFAOYSA-N
XLogP0.80
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butoxy-3-[3-(dimethylamino)piperidin-1-yl]propan-2-ol
CID 107263914
1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 110932791
1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 60699960
methyl (3S)-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-3-carboxylate
CID 79038191
1-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 111165897
3-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]propanoic acid
CID 63988655
(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol
CID 103935148
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63989069
1-propan-2-yloxy-3-(4-propylazepan-1-yl)propan-2-ol
CID 62077210
(3S)-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine
CID 170926263
1-propan-2-yloxy-3-(1,4-thiazepan-4-yl)propan-2-ol
CID 63987410
[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 78834727

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[3-(dimethylamino)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol (CID 63950586) is 1-[3-(dimethylamino)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[3-(dimethylamino)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[3-(dimethylamino)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CN1CCCC(N(C)C)C1.
What is the InChIKey of 1-[3-(dimethylamino)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol?
The InChIKey is MWYJXRGTXGNTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11(2)17-10-13(16)9-15-7-5-6-12(8-15)14(3)4/h11-13,16H,5-10H2,1-4H3.
What are the key properties of 1-[3-(dimethylamino)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol?
1-[3-(dimethylamino)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol has a molecular weight of 244.38 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 63950586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).