1-(dimethylamino)butan-2-ol;ethane;1-methylpiperidin-4-ol

C18H46N2O2 — CID 166075862

IUPAC1-(dimethylamino)butan-2-ol;ethane;1-methylpiperidin-4-ol
SMILESCC.CC.CC.CCC(O)CN(C)C.CN1CCC(O)CC1
InChIInChI=1S/C6H13NO.C6H15NO.3C2H6/c1-7-4-2-6(8)3-5-7;1-4-6(8)5-7(2)3;3*1-2/h6,8H,2-5H2,1H3;6,8H,4-5H2,1-3H3;3*1-2H3
InChIKeyKOOWAQYAXJLKLB-UHFFFAOYSA-N
MW322.58 g/mol
LogP3.47
Rot. Bonds3

About 1-(dimethylamino)butan-2-ol;ethane;1-methylpiperidin-4-ol

1-(dimethylamino)butan-2-ol;ethane;1-methylpiperidin-4-ol (PubChem CID 166075862) has the molecular formula C18H46N2O2 and a molecular weight of 322.58 g/mol. Its IUPAC name is 1-(dimethylamino)butan-2-ol;ethane;1-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(dimethylamino)butan-2-ol;ethane;1-methylpiperidin-4-ol
PubChem CID166075862
Molecular FormulaC18H46N2O2
Molecular Weight322.58 g/mol
Exact Mass322.36
IUPAC Name1-(dimethylamino)butan-2-ol;ethane;1-methylpiperidin-4-ol
SMILESCC.CC.CC.CCC(O)CN(C)C.CN1CCC(O)CC1
InChIInChI=1S/C6H13NO.C6H15NO.3C2H6/c1-7-4-2-6(8)3-5-7;1-4-6(8)5-7(2)3;3*1-2/h6,8H,2-5H2,1H3;6,8H,4-5H2,1-3H3;3*1-2H3
InChIKeyKOOWAQYAXJLKLB-UHFFFAOYSA-N
XLogP3.47
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.58
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(dimethylamino)butan-2-ol;ethane;1-methylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dimethylamino)-1-(1-methylpiperidin-4-yl)ethanol
CID 117238580
1-methylpiperidin-4-ol;trihydrochloride
CID 142686130
(2R,3S)-1-N,3-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine
CID 28598739
N',N'-dimethyl-2-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 117239062
(2S)-1-N-methyl-1-N-(1-methylpiperidin-4-yl)butane-1,2-diamine
CID 7138359
ethane;1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-ol;propane
CID 168901872
(4S)-1-methylazepan-4-ol
CID 29414429
1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(propylamino)propan-2-ol
CID 43165778
3-hydroxy-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid
CID 82776291
1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-ol
CID 63207611
ethyl 3-hydroxy-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoate
CID 82776528
1,4-dimethylpiperazine;ethane;2-[ethyl(methyl)amino]ethanol;1-methylpyrrolidin-3-ol
CID 142949316

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)butan-2-ol;ethane;1-methylpiperidin-4-ol?
The IUPAC name of 1-(dimethylamino)butan-2-ol;ethane;1-methylpiperidin-4-ol (CID 166075862) is 1-(dimethylamino)butan-2-ol;ethane;1-methylpiperidin-4-ol.
What is the SMILES notation for 1-(dimethylamino)butan-2-ol;ethane;1-methylpiperidin-4-ol?
The canonical SMILES for 1-(dimethylamino)butan-2-ol;ethane;1-methylpiperidin-4-ol is CC.CC.CC.CCC(O)CN(C)C.CN1CCC(O)CC1.
What is the InChIKey of 1-(dimethylamino)butan-2-ol;ethane;1-methylpiperidin-4-ol?
The InChIKey is KOOWAQYAXJLKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C6H15NO.3C2H6/c1-7-4-2-6(8)3-5-7;1-4-6(8)5-7(2)3;3*1-2/h6,8H,2-5H2,1H3;6,8H,4-5H2,1-3H3;3*1-2H3.
What are the key properties of 1-(dimethylamino)butan-2-ol;ethane;1-methylpiperidin-4-ol?
1-(dimethylamino)butan-2-ol;ethane;1-methylpiperidin-4-ol has a molecular weight of 322.58 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)butan-2-ol;ethane;1-methylpiperidin-4-ol is sourced from PubChem (CID 166075862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).