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

C11H25N3O — CID 64789672

IUPAC2-amino-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
SMILESCN1CCC(CN(C)CC(N)CO)CC1
InChIInChI=1S/C11H25N3O/c1-13-5-3-10(4-6-13)7-14(2)8-11(12)9-15/h10-11,15H,3-9,12H2,1-2H3
InChIKeyAHYFCOREXUNHTG-UHFFFAOYSA-N
MW215.34 g/mol
LogP-0.42
Rot. Bonds5

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

2-amino-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol (PubChem CID 64789672) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-amino-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
PubChem CID64789672
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name2-amino-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
SMILESCN1CCC(CN(C)CC(N)CO)CC1
InChIInChI=1S/C11H25N3O/c1-13-5-3-10(4-6-13)7-14(2)8-11(12)9-15/h10-11,15H,3-9,12H2,1-2H3
InChIKeyAHYFCOREXUNHTG-UHFFFAOYSA-N
XLogP-0.42
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 ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-ol
CID 64788626
3-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-1-ol
CID 64897294
2-amino-3-[cyclobutylmethyl(methyl)amino]propan-1-ol
CID 64787802
1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine
CID 63232951
4-methoxy-1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]butane-1,2-diamine
CID 63234503
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
2-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
CID 64792457
2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanimidamide
CID 63236319
3-amino-4-[cyclopentylmethyl(methyl)amino]butan-1-ol
CID 64897715
1-cyclopentyl-N,N'-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 104746229
N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63275885
3-N-(cyclopentylmethyl)-3-N-methylpropane-1,2,3-triamine
CID 115119915

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol?
The IUPAC name of 2-amino-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol (CID 64789672) is 2-amino-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol.
What is the SMILES notation for 2-amino-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol?
The canonical SMILES for 2-amino-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol is CN1CCC(CN(C)CC(N)CO)CC1.
What is the InChIKey of 2-amino-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol?
The InChIKey is AHYFCOREXUNHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-13-5-3-10(4-6-13)7-14(2)8-11(12)9-15/h10-11,15H,3-9,12H2,1-2H3.
What are the key properties of 2-amino-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol?
2-amino-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol has a molecular weight of 215.34 g/mol, XLogP of -0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol is sourced from PubChem (CID 64789672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).