2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butan-1-ol

C13H28N2O — CID 115250966

IUPAC2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butan-1-ol
SMILESCCC(CO)CN(C)CC1CCCN(C)C1
InChIInChI=1S/C13H28N2O/c1-4-12(11-16)8-15(3)10-13-6-5-7-14(2)9-13/h12-13,16H,4-11H2,1-3H3
InChIKeyCFESRRZGBJVYQT-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.28
Rot. Bonds6

About 2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butan-1-ol

2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butan-1-ol (PubChem CID 115250966) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butan-1-ol
PubChem CID115250966
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butan-1-ol
SMILESCCC(CO)CN(C)CC1CCCN(C)C1
InChIInChI=1S/C13H28N2O/c1-4-12(11-16)8-15(3)10-13-6-5-7-14(2)9-13/h12-13,16H,4-11H2,1-3H3
InChIKeyCFESRRZGBJVYQT-UHFFFAOYSA-N
XLogP1.28
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butan-1-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-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butanoic acid
CID 115250032
2-ethyl-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 115255113
2-amino-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-ol
CID 64788626
2-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]butane-1,4-diamine
CID 81079802
4-hydroxy-5-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]pentanoic acid
CID 115122756
N,N-dimethyl-1-(1-methylpiperidin-3-yl)methanamine;propane
CID 142888421
N-(methoxymethyl)-N-methyl-1-(1-methylpiperidin-3-yl)methanamine
CID 115258790
[1-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]cyclobutyl]methanol
CID 115247057
ethane;2-methylbut-2-ene;N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine
CID 142068067
[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]methanol
CID 115229573
(2S)-2-[(1-methylpiperidin-3-yl)methylamino]butan-1-ol
CID 104980416
1-(2-fluorophenyl)-2-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]ethanol
CID 111456975

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butan-1-ol?
The IUPAC name of 2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butan-1-ol (CID 115250966) is 2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butan-1-ol.
What is the SMILES notation for 2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butan-1-ol?
The canonical SMILES for 2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butan-1-ol is CCC(CO)CN(C)CC1CCCN(C)C1.
What is the InChIKey of 2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butan-1-ol?
The InChIKey is CFESRRZGBJVYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-12(11-16)8-15(3)10-13-6-5-7-14(2)9-13/h12-13,16H,4-11H2,1-3H3.
What are the key properties of 2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butan-1-ol?
2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butan-1-ol is sourced from PubChem (CID 115250966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).