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

C11H25N3O — CID 117039168

IUPAC4-amino-1-[methyl-(1-methylpiperidin-3-yl)amino]butan-2-ol
SMILESCN1CCCC(N(C)CC(O)CCN)C1
InChIInChI=1S/C11H25N3O/c1-13-7-3-4-10(8-13)14(2)9-11(15)5-6-12/h10-11,15H,3-9,12H2,1-2H3
InChIKeyFINXTJQZLFIRFO-UHFFFAOYSA-N
MW215.34 g/mol
LogP-0.28
Rot. Bonds5

About 4-amino-1-[methyl-(1-methylpiperidin-3-yl)amino]butan-2-ol

4-amino-1-[methyl-(1-methylpiperidin-3-yl)amino]butan-2-ol (PubChem CID 117039168) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-amino-1-[methyl-(1-methylpiperidin-3-yl)amino]butan-2-ol.

Molecular Properties

Compound Name4-amino-1-[methyl-(1-methylpiperidin-3-yl)amino]butan-2-ol
PubChem CID117039168
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name4-amino-1-[methyl-(1-methylpiperidin-3-yl)amino]butan-2-ol
SMILESCN1CCCC(N(C)CC(O)CCN)C1
InChIInChI=1S/C11H25N3O/c1-13-7-3-4-10(8-13)14(2)9-11(15)5-6-12/h10-11,15H,3-9,12H2,1-2H3
InChIKeyFINXTJQZLFIRFO-UHFFFAOYSA-N
XLogP-0.28
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-3-[methyl-(1-methylpiperidin-3-yl)amino]propan-2-ol
CID 63930037
N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine
CID 115202508
N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62545866
2-[methyl-(1-methylpiperidin-3-yl)amino]-1-phenylethanol
CID 62547685
methyl 2-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]propanoate
CID 62545953
2-methyl-3-[methyl-(1-methylpiperidin-3-yl)amino]propanehydrazide
CID 63572438
N-[[4-(aminomethyl)cyclohexyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 79532954
2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]ethanol
CID 66565626
1-cyclopentyl-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 104745946
methyl 4-hydroxy-5-[methyl-(1-methylpyrrolidin-3-yl)amino]pentanoate
CID 115123565
2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]butanedioic acid
CID 115144584
N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,1-dimethylpiperidin-3-amine
CID 79847644

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[methyl-(1-methylpiperidin-3-yl)amino]butan-2-ol?
The IUPAC name of 4-amino-1-[methyl-(1-methylpiperidin-3-yl)amino]butan-2-ol (CID 117039168) is 4-amino-1-[methyl-(1-methylpiperidin-3-yl)amino]butan-2-ol.
What is the SMILES notation for 4-amino-1-[methyl-(1-methylpiperidin-3-yl)amino]butan-2-ol?
The canonical SMILES for 4-amino-1-[methyl-(1-methylpiperidin-3-yl)amino]butan-2-ol is CN1CCCC(N(C)CC(O)CCN)C1.
What is the InChIKey of 4-amino-1-[methyl-(1-methylpiperidin-3-yl)amino]butan-2-ol?
The InChIKey is FINXTJQZLFIRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-13-7-3-4-10(8-13)14(2)9-11(15)5-6-12/h10-11,15H,3-9,12H2,1-2H3.
What are the key properties of 4-amino-1-[methyl-(1-methylpiperidin-3-yl)amino]butan-2-ol?
4-amino-1-[methyl-(1-methylpiperidin-3-yl)amino]butan-2-ol has a molecular weight of 215.34 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[methyl-(1-methylpiperidin-3-yl)amino]butan-2-ol is sourced from PubChem (CID 117039168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).