5-amino-1-(4-tert-butylpiperidin-1-yl)-2-methylpentan-1-one

C15H30N2O — CID 113440980

IUPAC5-amino-1-(4-tert-butylpiperidin-1-yl)-2-methylpentan-1-one
SMILESCC(CCCN)C(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-12(6-5-9-16)14(18)17-10-7-13(8-11-17)15(2,3)4/h12-13H,5-11,16H2,1-4H3
InChIKeyWEJDWLKCAZRNSU-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.65
Rot. Bonds4

About 5-amino-1-(4-tert-butylpiperidin-1-yl)-2-methylpentan-1-one

5-amino-1-(4-tert-butylpiperidin-1-yl)-2-methylpentan-1-one (PubChem CID 113440980) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 5-amino-1-(4-tert-butylpiperidin-1-yl)-2-methylpentan-1-one.

Molecular Properties

Compound Name5-amino-1-(4-tert-butylpiperidin-1-yl)-2-methylpentan-1-one
PubChem CID113440980
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name5-amino-1-(4-tert-butylpiperidin-1-yl)-2-methylpentan-1-one
SMILESCC(CCCN)C(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-12(6-5-9-16)14(18)17-10-7-13(8-11-17)15(2,3)4/h12-13H,5-11,16H2,1-4H3
InChIKeyWEJDWLKCAZRNSU-UHFFFAOYSA-N
XLogP2.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 104685126
5-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one
CID 104683408
N-[1-(5-amino-2-methylpentanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 104684454
5-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-1-one
CID 104683713
5-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-methylpentan-1-one
CID 104684531
4-(4-tert-butylpiperidin-1-yl)pentan-1-amine
CID 62411940
4-(5-amino-2-methylpentanoyl)piperazine-1-sulfonamide
CID 113440928
5-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 104683725
5-amino-2-methyl-1-(1,4-thiazepan-4-yl)pentan-1-one
CID 104684861
5-amino-1-(4,4-diethylpiperidin-1-yl)-2-methylpentan-1-one
CID 113441000
5-amino-2-methyl-1-(3-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one
CID 104684580
5-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-methylpentan-1-one
CID 107218972

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-tert-butylpiperidin-1-yl)-2-methylpentan-1-one?
The IUPAC name of 5-amino-1-(4-tert-butylpiperidin-1-yl)-2-methylpentan-1-one (CID 113440980) is 5-amino-1-(4-tert-butylpiperidin-1-yl)-2-methylpentan-1-one.
What is the SMILES notation for 5-amino-1-(4-tert-butylpiperidin-1-yl)-2-methylpentan-1-one?
The canonical SMILES for 5-amino-1-(4-tert-butylpiperidin-1-yl)-2-methylpentan-1-one is CC(CCCN)C(=O)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 5-amino-1-(4-tert-butylpiperidin-1-yl)-2-methylpentan-1-one?
The InChIKey is WEJDWLKCAZRNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12(6-5-9-16)14(18)17-10-7-13(8-11-17)15(2,3)4/h12-13H,5-11,16H2,1-4H3.
What are the key properties of 5-amino-1-(4-tert-butylpiperidin-1-yl)-2-methylpentan-1-one?
5-amino-1-(4-tert-butylpiperidin-1-yl)-2-methylpentan-1-one has a molecular weight of 254.42 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-tert-butylpiperidin-1-yl)-2-methylpentan-1-one is sourced from PubChem (CID 113440980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).