2-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-ol

C13H28N2O — CID 114495626

IUPAC2-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-ol
SMILESCCC(C)(O)CN(C)CC1CCN(C)CC1
InChIInChI=1S/C13H28N2O/c1-5-13(2,16)11-15(4)10-12-6-8-14(3)9-7-12/h12,16H,5-11H2,1-4H3
InChIKeyBLPNQMCTNPDQER-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.42
Rot. Bonds5

About 2-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-ol

2-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-ol (PubChem CID 114495626) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-ol
PubChem CID114495626
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-ol
SMILESCCC(C)(O)CN(C)CC1CCN(C)CC1
InChIInChI=1S/C13H28N2O/c1-5-13(2,16)11-15(4)10-12-6-8-14(3)9-7-12/h12,16H,5-11H2,1-4H3
InChIKeyBLPNQMCTNPDQER-UHFFFAOYSA-N
XLogP1.42
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Analyze 2-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-ol with MolForge

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Related Compounds

2-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-2-ol
CID 63236517
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
CID 64791463
2-ethyl-1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]butane-1,2-diamine
CID 79814121
2,2-diethyl-N,N'-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine
CID 55175585
2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanamide
CID 55174419
2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-2-ol
CID 79360191
ethyl 2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoate
CID 63236833
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid
CID 63236743
1-N,2-dimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,2-diamine
CID 63274555
2-methyl-1-[methyl(oxan-3-ylmethyl)amino]butan-2-ol
CID 114495650
2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanal
CID 63274650

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-ol?
The IUPAC name of 2-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-ol (CID 114495626) is 2-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-ol is CCC(C)(O)CN(C)CC1CCN(C)CC1.
What is the InChIKey of 2-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-ol?
The InChIKey is BLPNQMCTNPDQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-13(2,16)11-15(4)10-12-6-8-14(3)9-7-12/h12,16H,5-11H2,1-4H3.
What are the key properties of 2-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-ol?
2-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-ol is sourced from PubChem (CID 114495626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).