4-[methyl(piperidin-3-ylmethyl)amino]butan-2-ol

C11H24N2O — CID 115741590

IUPAC4-[methyl(piperidin-3-ylmethyl)amino]butan-2-ol
SMILESCC(O)CCN(C)CC1CCCNC1
InChIInChI=1S/C11H24N2O/c1-10(14)5-7-13(2)9-11-4-3-6-12-8-11/h10-12,14H,3-9H2,1-2H3
InChIKeyNFEATJYFRUDVGC-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.69
Rot. Bonds5

About 4-[methyl(piperidin-3-ylmethyl)amino]butan-2-ol

4-[methyl(piperidin-3-ylmethyl)amino]butan-2-ol (PubChem CID 115741590) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-[methyl(piperidin-3-ylmethyl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[methyl(piperidin-3-ylmethyl)amino]butan-2-ol
PubChem CID115741590
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name4-[methyl(piperidin-3-ylmethyl)amino]butan-2-ol
SMILESCC(O)CCN(C)CC1CCCNC1
InChIInChI=1S/C11H24N2O/c1-10(14)5-7-13(2)9-11-4-3-6-12-8-11/h10-12,14H,3-9H2,1-2H3
InChIKeyNFEATJYFRUDVGC-UHFFFAOYSA-N
XLogP0.69
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-ylsulfanylethanamine
CID 122555830
N-methyl-2-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)ethanamine
CID 106636675
N,2-dimethyl-N-(piperidin-3-ylmethyl)pentan-1-amine
CID 106623913
3-[methyl(piperidin-3-ylmethyl)amino]propanenitrile
CID 80554591
N-methyl-N-(piperidin-3-ylmethyl)octan-1-amine
CID 106623723
1-cyclohexyl-N-methyl-N-(piperidin-3-ylmethyl)methanamine;hydrochloride
CID 119930005
1-methoxy-3-[methyl(piperidin-3-ylmethyl)amino]propan-2-ol
CID 80554421
N,4-dimethyl-N-(pyrrolidin-3-ylmethyl)pentan-1-amine
CID 115209057
N-(cyclobutylmethyl)-N-methyl-3-piperidin-3-ylpropan-1-amine
CID 62861568
N-methyl-2-(oxan-4-yl)-N-(piperidin-3-ylmethyl)ethanamine
CID 115209752
N-methyl-N-(piperidin-3-ylmethyl)pent-4-en-1-amine
CID 115741609
propan-2-yl 2-[methyl(piperidin-3-ylmethyl)amino]acetate
CID 106637068

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(piperidin-3-ylmethyl)amino]butan-2-ol?
The IUPAC name of 4-[methyl(piperidin-3-ylmethyl)amino]butan-2-ol (CID 115741590) is 4-[methyl(piperidin-3-ylmethyl)amino]butan-2-ol.
What is the SMILES notation for 4-[methyl(piperidin-3-ylmethyl)amino]butan-2-ol?
The canonical SMILES for 4-[methyl(piperidin-3-ylmethyl)amino]butan-2-ol is CC(O)CCN(C)CC1CCCNC1.
What is the InChIKey of 4-[methyl(piperidin-3-ylmethyl)amino]butan-2-ol?
The InChIKey is NFEATJYFRUDVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-10(14)5-7-13(2)9-11-4-3-6-12-8-11/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 4-[methyl(piperidin-3-ylmethyl)amino]butan-2-ol?
4-[methyl(piperidin-3-ylmethyl)amino]butan-2-ol has a molecular weight of 200.33 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(piperidin-3-ylmethyl)amino]butan-2-ol is sourced from PubChem (CID 115741590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).