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

C12H27N3O — CID 64897294

IUPAC3-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-1-ol
SMILESCN1CCC(CN(C)CC(N)CCO)CC1
InChIInChI=1S/C12H27N3O/c1-14-6-3-11(4-7-14)9-15(2)10-12(13)5-8-16/h11-12,16H,3-10,13H2,1-2H3
InChIKeyBNGHLZKPZBNABE-UHFFFAOYSA-N
MW229.37 g/mol
LogP-0.03
Rot. Bonds6

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

3-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-1-ol (PubChem CID 64897294) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 3-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-1-ol.

Molecular Properties

Compound Name3-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-1-ol
PubChem CID64897294
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name3-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-1-ol
SMILESCN1CCC(CN(C)CC(N)CCO)CC1
InChIInChI=1S/C12H27N3O/c1-14-6-3-11(4-7-14)9-15(2)10-12(13)5-8-16/h11-12,16H,3-10,13H2,1-2H3
InChIKeyBNGHLZKPZBNABE-UHFFFAOYSA-N
XLogP-0.03
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine
CID 63232951
2-amino-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
CID 64789672
3-amino-4-[cyclopentylmethyl(methyl)amino]butan-1-ol
CID 64897715
2-amino-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-ol
CID 64788626
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-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanimidamide
CID 63236319
2-amino-3-[cyclobutylmethyl(methyl)amino]propan-1-ol
CID 64787802
N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63275885
1-N-(cyclopropylmethyl)-1-N-methylhexane-1,2-diamine
CID 60984085
2-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
CID 64792457
1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 60984207

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-1-ol?
The IUPAC name of 3-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-1-ol (CID 64897294) is 3-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-1-ol.
What is the SMILES notation for 3-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-1-ol?
The canonical SMILES for 3-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-1-ol is CN1CCC(CN(C)CC(N)CCO)CC1.
What is the InChIKey of 3-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-1-ol?
The InChIKey is BNGHLZKPZBNABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-14-6-3-11(4-7-14)9-15(2)10-12(13)5-8-16/h11-12,16H,3-10,13H2,1-2H3.
What are the key properties of 3-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-1-ol?
3-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-1-ol has a molecular weight of 229.37 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-1-ol is sourced from PubChem (CID 64897294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).