1-methyl-4-(3-methylbutylamino)piperidin-3-ol

C11H24N2O — CID 134557493

IUPAC1-methyl-4-(3-methylbutylamino)piperidin-3-ol
SMILESCC(C)CCNC1CCN(C)CC1O
InChIInChI=1S/C11H24N2O/c1-9(2)4-6-12-10-5-7-13(3)8-11(10)14/h9-12,14H,4-8H2,1-3H3
InChIKeyDLQWYVWWYMGDEJ-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.69
Rot. Bonds4

About 1-methyl-4-(3-methylbutylamino)piperidin-3-ol

1-methyl-4-(3-methylbutylamino)piperidin-3-ol (PubChem CID 134557493) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-methyl-4-(3-methylbutylamino)piperidin-3-ol.

Molecular Properties

Compound Name1-methyl-4-(3-methylbutylamino)piperidin-3-ol
PubChem CID134557493
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-methyl-4-(3-methylbutylamino)piperidin-3-ol
SMILESCC(C)CCNC1CCN(C)CC1O
InChIInChI=1S/C11H24N2O/c1-9(2)4-6-12-10-5-7-13(3)8-11(10)14/h9-12,14H,4-8H2,1-3H3
InChIKeyDLQWYVWWYMGDEJ-UHFFFAOYSA-N
XLogP0.69
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-methylbutylamino)piperidin-3-ol?
The IUPAC name of 1-methyl-4-(3-methylbutylamino)piperidin-3-ol (CID 134557493) is 1-methyl-4-(3-methylbutylamino)piperidin-3-ol.
What is the SMILES notation for 1-methyl-4-(3-methylbutylamino)piperidin-3-ol?
The canonical SMILES for 1-methyl-4-(3-methylbutylamino)piperidin-3-ol is CC(C)CCNC1CCN(C)CC1O.
What is the InChIKey of 1-methyl-4-(3-methylbutylamino)piperidin-3-ol?
The InChIKey is DLQWYVWWYMGDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9(2)4-6-12-10-5-7-13(3)8-11(10)14/h9-12,14H,4-8H2,1-3H3.
What are the key properties of 1-methyl-4-(3-methylbutylamino)piperidin-3-ol?
1-methyl-4-(3-methylbutylamino)piperidin-3-ol has a molecular weight of 200.33 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-methylbutylamino)piperidin-3-ol is sourced from PubChem (CID 134557493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).