1-[3-(dimethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol

C13H28N2O — CID 114448938

IUPAC1-[3-(dimethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CN1CCCC(N(C)C)C1
InChIInChI=1S/C13H28N2O/c1-11(2)13(3,16)10-15-8-6-7-12(9-15)14(4)5/h11-12,16H,6-10H2,1-5H3
InChIKeyRBRQJYMWIJEZBI-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.42
Rot. Bonds4

About 1-[3-(dimethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol

1-[3-(dimethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol (PubChem CID 114448938) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-[3-(dimethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[3-(dimethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol
PubChem CID114448938
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-[3-(dimethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CN1CCCC(N(C)C)C1
InChIInChI=1S/C13H28N2O/c1-11(2)13(3,16)10-15-8-6-7-12(9-15)14(4)5/h11-12,16H,6-10H2,1-5H3
InChIKeyRBRQJYMWIJEZBI-UHFFFAOYSA-N
XLogP1.42
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-amino-2,2-dimethylbutyl)-N,N-dimethylpiperidin-3-amine
CID 66452822
1-(3-ethylpiperidin-1-yl)-2,3-dimethylbutan-2-ol
CID 114447622
1-(2-hydroxy-2,3-dimethylbutyl)piperidine-3-carboxamide
CID 114447589
1-(azocan-1-yl)-2,3-dimethylbutan-2-ol
CID 114447496
1-(2-hydroxy-2,3-dimethylbutyl)pyrrolidin-3-ol
CID 114449091
(3R)-1-ethyl-N,N-dimethylpiperidin-3-amine
CID 95912118
1-(2-hydroxy-2,3-dimethylbutyl)piperidin-4-ol
CID 114448862
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,3-dimethylbutan-2-ol
CID 114495592
1-(4,4-dimethylazepan-1-yl)-2,3-dimethylbutan-2-ol
CID 114449017
1-[3-(dimethylamino)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63950586
1-[cyclobutyl(methyl)amino]-2,3-dimethylbutan-2-ol
CID 114495819
2-[[3-(dimethylamino)piperidin-1-yl]methyl]-3,3,3-trifluoropropanethioamide
CID 103368761

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-[3-(dimethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol (CID 114448938) is 1-[3-(dimethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[3-(dimethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[3-(dimethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol is CC(C)C(C)(O)CN1CCCC(N(C)C)C1.
What is the InChIKey of 1-[3-(dimethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol?
The InChIKey is RBRQJYMWIJEZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)13(3,16)10-15-8-6-7-12(9-15)14(4)5/h11-12,16H,6-10H2,1-5H3.
What are the key properties of 1-[3-(dimethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol?
1-[3-(dimethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114448938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).