1-(5-amino-1-propan-2-ylpiperidin-3-yl)-3-methylbutan-2-ol

C13H28N2O — CID 83989078

IUPAC1-(5-amino-1-propan-2-ylpiperidin-3-yl)-3-methylbutan-2-ol
SMILESCC(C)C(O)CC1CC(N)CN(C(C)C)C1
InChIInChI=1S/C13H28N2O/c1-9(2)13(16)6-11-5-12(14)8-15(7-11)10(3)4/h9-13,16H,5-8,14H2,1-4H3
InChIKeyVKRWIUXZTMEVCD-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.45
Rot. Bonds4

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

1-(5-amino-1-propan-2-ylpiperidin-3-yl)-3-methylbutan-2-ol (PubChem CID 83989078) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-(5-amino-1-propan-2-ylpiperidin-3-yl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(5-amino-1-propan-2-ylpiperidin-3-yl)-3-methylbutan-2-ol
PubChem CID83989078
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-(5-amino-1-propan-2-ylpiperidin-3-yl)-3-methylbutan-2-ol
SMILESCC(C)C(O)CC1CC(N)CN(C(C)C)C1
InChIInChI=1S/C13H28N2O/c1-9(2)13(16)6-11-5-12(14)8-15(7-11)10(3)4/h9-13,16H,5-8,14H2,1-4H3
InChIKeyVKRWIUXZTMEVCD-UHFFFAOYSA-N
XLogP1.45
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-amino-1-methylpiperidin-3-yl)-3-methylbutan-2-ol
CID 83988971
5-ethyl-1-propan-2-ylpiperidin-3-amine
CID 83989059
methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propan-2-ylpiperidin-3-yl]carbamate
CID 112543133
1-[5-(cyclobutylmethylamino)-1-propan-2-ylpiperidin-3-yl]-3-methylbutan-2-ol
CID 83997066
1-propan-2-ylazetidin-3-amine;hydrochloride
CID 134588428
5-amino-1-propan-2-ylpiperidine-3-carboxylic acid
CID 83989066
(3aS,6aR)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 153474508
ethane;(1-propan-2-ylazetidin-3-yl)methanol
CID 156813140
1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]-3-methylbutan-2-ol
CID 83990765
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
3-(fluoromethyl)-1-propan-2-ylazetidine
CID 118375071

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1-propan-2-ylpiperidin-3-yl)-3-methylbutan-2-ol?
The IUPAC name of 1-(5-amino-1-propan-2-ylpiperidin-3-yl)-3-methylbutan-2-ol (CID 83989078) is 1-(5-amino-1-propan-2-ylpiperidin-3-yl)-3-methylbutan-2-ol.
What is the SMILES notation for 1-(5-amino-1-propan-2-ylpiperidin-3-yl)-3-methylbutan-2-ol?
The canonical SMILES for 1-(5-amino-1-propan-2-ylpiperidin-3-yl)-3-methylbutan-2-ol is CC(C)C(O)CC1CC(N)CN(C(C)C)C1.
What is the InChIKey of 1-(5-amino-1-propan-2-ylpiperidin-3-yl)-3-methylbutan-2-ol?
The InChIKey is VKRWIUXZTMEVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-9(2)13(16)6-11-5-12(14)8-15(7-11)10(3)4/h9-13,16H,5-8,14H2,1-4H3.
What are the key properties of 1-(5-amino-1-propan-2-ylpiperidin-3-yl)-3-methylbutan-2-ol?
1-(5-amino-1-propan-2-ylpiperidin-3-yl)-3-methylbutan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1-propan-2-ylpiperidin-3-yl)-3-methylbutan-2-ol is sourced from PubChem (CID 83989078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).