4-amino-1-(3-methyl-3-propylpiperidin-1-yl)butan-1-one

C13H26N2O — CID 119328278

IUPAC4-amino-1-(3-methyl-3-propylpiperidin-1-yl)butan-1-one
SMILESCCCC1(C)CCCN(C(=O)CCCN)C1
InChIInChI=1S/C13H26N2O/c1-3-7-13(2)8-5-10-15(11-13)12(16)6-4-9-14/h3-11,14H2,1-2H3
InChIKeyRYMNQJSBVVNSFT-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.15
Rot. Bonds5

About 4-amino-1-(3-methyl-3-propylpiperidin-1-yl)butan-1-one

4-amino-1-(3-methyl-3-propylpiperidin-1-yl)butan-1-one (PubChem CID 119328278) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-amino-1-(3-methyl-3-propylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-1-(3-methyl-3-propylpiperidin-1-yl)butan-1-one
PubChem CID119328278
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-amino-1-(3-methyl-3-propylpiperidin-1-yl)butan-1-one
SMILESCCCC1(C)CCCN(C(=O)CCCN)C1
InChIInChI=1S/C13H26N2O/c1-3-7-13(2)8-5-10-15(11-13)12(16)6-4-9-14/h3-11,14H2,1-2H3
InChIKeyRYMNQJSBVVNSFT-UHFFFAOYSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-one
CID 107392361
(2R)-2-amino-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride
CID 119328269
4-amino-1-(3-hydroxy-3-propylazetidin-1-yl)butan-1-one
CID 107219960
2-(4-aminophenyl)-1-(3-methyl-3-propylpiperidin-1-yl)ethanone
CID 119791955
1-(4-aminobutanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144724
1-[4-(hydroxymethyl)-4-methylazepan-1-yl]pentan-1-one
CID 175951578
1-(3-ethyl-3-methylpiperidin-1-yl)propan-1-one
CID 127370172
3-(3-methyl-3-propylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981801
ethyl 4-methyl-4-propylazepane-1-carboxylate
CID 146751878
5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride
CID 120806330
4-(3-methyl-3-propylpiperidin-1-yl)butanoic acid
CID 119139251
7-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]heptan-1-one;hydrochloride
CID 119811815

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-methyl-3-propylpiperidin-1-yl)butan-1-one?
The IUPAC name of 4-amino-1-(3-methyl-3-propylpiperidin-1-yl)butan-1-one (CID 119328278) is 4-amino-1-(3-methyl-3-propylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 4-amino-1-(3-methyl-3-propylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 4-amino-1-(3-methyl-3-propylpiperidin-1-yl)butan-1-one is CCCC1(C)CCCN(C(=O)CCCN)C1.
What is the InChIKey of 4-amino-1-(3-methyl-3-propylpiperidin-1-yl)butan-1-one?
The InChIKey is RYMNQJSBVVNSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-7-13(2)8-5-10-15(11-13)12(16)6-4-9-14/h3-11,14H2,1-2H3.
What are the key properties of 4-amino-1-(3-methyl-3-propylpiperidin-1-yl)butan-1-one?
4-amino-1-(3-methyl-3-propylpiperidin-1-yl)butan-1-one has a molecular weight of 226.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-methyl-3-propylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 119328278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).