4-methoxy-1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]butane-1,2-diamine

C13H29N3O — CID 63234503

IUPAC4-methoxy-1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]butane-1,2-diamine
SMILESCOCCC(N)CN(C)CC1CCN(C)CC1
InChIInChI=1S/C13H29N3O/c1-15-7-4-12(5-8-15)10-16(2)11-13(14)6-9-17-3/h12-13H,4-11,14H2,1-3H3
InChIKeyDPQWZJUIAWOGLQ-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.62
Rot. Bonds7

About 4-methoxy-1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]butane-1,2-diamine

4-methoxy-1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]butane-1,2-diamine (PubChem CID 63234503) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-methoxy-1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]butane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]butane-1,2-diamine
PubChem CID63234503
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name4-methoxy-1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]butane-1,2-diamine
SMILESCOCCC(N)CN(C)CC1CCN(C)CC1
InChIInChI=1S/C13H29N3O/c1-15-7-4-12(5-8-15)10-16(2)11-13(14)6-9-17-3/h12-13H,4-11,14H2,1-3H3
InChIKeyDPQWZJUIAWOGLQ-UHFFFAOYSA-N
XLogP0.62
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.62
H-Bond Donors ≤ 51
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
3-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-1-ol
CID 64897294
2-amino-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
CID 64789672
2-amino-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-ol
CID 64788626
4-methoxy-1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine
CID 63859672
2,2-dimethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 66220841
4-methoxy-1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63208714
2-amino-5-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pentanamide
CID 81089103
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63275885
N-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 63234363
1-N-(cyclopropylmethyl)-1-N-methylhexane-1,2-diamine
CID 60984085

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]butane-1,2-diamine?
The IUPAC name of 4-methoxy-1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]butane-1,2-diamine (CID 63234503) is 4-methoxy-1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]butane-1,2-diamine.
What is the SMILES notation for 4-methoxy-1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]butane-1,2-diamine?
The canonical SMILES for 4-methoxy-1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]butane-1,2-diamine is COCCC(N)CN(C)CC1CCN(C)CC1.
What is the InChIKey of 4-methoxy-1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]butane-1,2-diamine?
The InChIKey is DPQWZJUIAWOGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-15-7-4-12(5-8-15)10-16(2)11-13(14)6-9-17-3/h12-13H,4-11,14H2,1-3H3.
What are the key properties of 4-methoxy-1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]butane-1,2-diamine?
4-methoxy-1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]butane-1,2-diamine has a molecular weight of 243.39 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]butane-1,2-diamine is sourced from PubChem (CID 63234503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).