1-(5-amino-1-methylpiperidin-3-yl)-3-methylbutan-2-ol

C11H24N2O — CID 83988971

IUPAC1-(5-amino-1-methylpiperidin-3-yl)-3-methylbutan-2-ol
SMILESCC(C)C(O)CC1CC(N)CN(C)C1
InChIInChI=1S/C11H24N2O/c1-8(2)11(14)5-9-4-10(12)7-13(3)6-9/h8-11,14H,4-7,12H2,1-3H3
InChIKeyKAPVWQTZKOEEMT-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.67
Rot. Bonds3

About 1-(5-amino-1-methylpiperidin-3-yl)-3-methylbutan-2-ol

1-(5-amino-1-methylpiperidin-3-yl)-3-methylbutan-2-ol (PubChem CID 83988971) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-(5-amino-1-methylpiperidin-3-yl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(5-amino-1-methylpiperidin-3-yl)-3-methylbutan-2-ol
PubChem CID83988971
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-(5-amino-1-methylpiperidin-3-yl)-3-methylbutan-2-ol
SMILESCC(C)C(O)CC1CC(N)CN(C)C1
InChIInChI=1S/C11H24N2O/c1-8(2)11(14)5-9-4-10(12)7-13(3)6-9/h8-11,14H,4-7,12H2,1-3H3
InChIKeyKAPVWQTZKOEEMT-UHFFFAOYSA-N
XLogP0.67
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-amino-1-propan-2-ylpiperidin-3-yl)-3-methylbutan-2-ol
CID 83989078
3-methyl-1-[1-methyl-5-(propylamino)piperidin-3-yl]butan-2-ol
CID 83990804
3-methyl-1-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992078
1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]-3-methylbutan-2-ol
CID 83997613
tert-butyl N-[5-(2-hydroxy-3-methylbutyl)-1-methylpiperidin-3-yl]carbamate
CID 112544280
1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]-3-methylbutan-2-ol
CID 83990765
1-[1-(2-aminoethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]-3-methylbutan-2-ol
CID 83993425
1-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]-3-methylbutan-2-ol
CID 83991508
1-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]-3-methylbutan-2-ol
CID 83994194
1-[3-(2-hydroxy-3-methylbutyl)-5-(methylamino)piperidin-1-yl]ethanone
CID 83989746
(3S,5R)-1-methyl-3-(2-methylpropyl)-5-propan-2-ylpiperidine
CID 134236222
(3R,5S)-1-methyl-3-(2-methylpropyl)-5-propan-2-ylpiperidine
CID 134236161

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1-methylpiperidin-3-yl)-3-methylbutan-2-ol?
The IUPAC name of 1-(5-amino-1-methylpiperidin-3-yl)-3-methylbutan-2-ol (CID 83988971) is 1-(5-amino-1-methylpiperidin-3-yl)-3-methylbutan-2-ol.
What is the SMILES notation for 1-(5-amino-1-methylpiperidin-3-yl)-3-methylbutan-2-ol?
The canonical SMILES for 1-(5-amino-1-methylpiperidin-3-yl)-3-methylbutan-2-ol is CC(C)C(O)CC1CC(N)CN(C)C1.
What is the InChIKey of 1-(5-amino-1-methylpiperidin-3-yl)-3-methylbutan-2-ol?
The InChIKey is KAPVWQTZKOEEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-8(2)11(14)5-9-4-10(12)7-13(3)6-9/h8-11,14H,4-7,12H2,1-3H3.
What are the key properties of 1-(5-amino-1-methylpiperidin-3-yl)-3-methylbutan-2-ol?
1-(5-amino-1-methylpiperidin-3-yl)-3-methylbutan-2-ol has a molecular weight of 200.33 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1-methylpiperidin-3-yl)-3-methylbutan-2-ol is sourced from PubChem (CID 83988971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).