3-amino-1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one

C14H28N2O — CID 64678846

IUPAC3-amino-1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one
SMILESCC(C)(N)CC(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-13(2,3)11-6-8-16(9-7-11)12(17)10-14(4,5)15/h11H,6-10,15H2,1-5H3
InChIKeyIFNNHKIEYNMPMP-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.40
Rot. Bonds2

About 3-amino-1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one

3-amino-1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one (PubChem CID 64678846) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-amino-1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name3-amino-1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one
PubChem CID64678846
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-amino-1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one
SMILESCC(C)(N)CC(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-13(2,3)11-6-8-16(9-7-11)12(17)10-14(4,5)15/h11H,6-10,15H2,1-5H3
InChIKeyIFNNHKIEYNMPMP-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-amino-3-methylbutanoyl)piperidine-4-carboxamide
CID 64683539
3-amino-3-methyl-1-(4-methylazepan-1-yl)butan-1-one
CID 64677870
3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
CID 64679140
3-amino-1-[(3R)-3-aminopyrrolidin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 131176631
3-amino-1-(3-aminopyrrolidin-1-yl)-3-methylbutan-1-one;hydrochloride
CID 130609463
ethyl 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxylate
CID 64685754
1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one
CID 70657702
1-(4-tert-butylpiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 119762682
3-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 64685110
3-amino-1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one
CID 64685940
1-(4-tert-butylpiperidin-1-yl)ethanone;ethane
CID 165078981
1-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)ethanone
CID 62084699

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one?
The IUPAC name of 3-amino-1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one (CID 64678846) is 3-amino-1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for 3-amino-1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one?
The canonical SMILES for 3-amino-1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one is CC(C)(N)CC(=O)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 3-amino-1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one?
The InChIKey is IFNNHKIEYNMPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-13(2,3)11-6-8-16(9-7-11)12(17)10-14(4,5)15/h11H,6-10,15H2,1-5H3.
What are the key properties of 3-amino-1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one?
3-amino-1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 64678846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).