1-[2-(1-aminoethyl)piperidin-1-yl]-3-methylpentan-1-one

C13H26N2O — CID 114875604

IUPAC1-[2-(1-aminoethyl)piperidin-1-yl]-3-methylpentan-1-one
SMILESCCC(C)CC(=O)N1CCCCC1C(C)N
InChIInChI=1S/C13H26N2O/c1-4-10(2)9-13(16)15-8-6-5-7-12(15)11(3)14/h10-12H,4-9,14H2,1-3H3
InChIKeyFQYOEHYSZOEOSR-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.15
Rot. Bonds4

About 1-[2-(1-aminoethyl)piperidin-1-yl]-3-methylpentan-1-one

1-[2-(1-aminoethyl)piperidin-1-yl]-3-methylpentan-1-one (PubChem CID 114875604) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)piperidin-1-yl]-3-methylpentan-1-one.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)piperidin-1-yl]-3-methylpentan-1-one
PubChem CID114875604
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-[2-(1-aminoethyl)piperidin-1-yl]-3-methylpentan-1-one
SMILESCCC(C)CC(=O)N1CCCCC1C(C)N
InChIInChI=1S/C13H26N2O/c1-4-10(2)9-13(16)15-8-6-5-7-12(15)11(3)14/h10-12H,4-9,14H2,1-3H3
InChIKeyFQYOEHYSZOEOSR-UHFFFAOYSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

1-[2-(1-aminoethyl)piperidin-1-yl]-3-ethylpentan-1-one;hydrochloride
CID 119435731
1-[2-(1-aminoethyl)piperidin-1-yl]pentan-1-one
CID 63255456
N-[4-[2-(1-aminoethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide;hydrochloride
CID 119437270
1-(3-methylpentanoyl)piperidine-2-carbothioamide
CID 114874825
1-[2-(1-aminoethyl)piperidin-1-yl]but-3-en-1-one
CID 63254842
1-[2-(1-aminoethyl)piperidin-1-yl]-2-propylsulfanylethanone;hydrochloride
CID 119435761
1-[2-(1-aminoethyl)piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
CID 119434682
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(cyclopropylmethylamino)ethanone
CID 122080228
ethyl 1-(3-methylpentanoyl)pyrrolidine-2-carboxylate
CID 114875756
1-[2-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 130621072
[2-(1-aminoethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79161243
1-[2-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 63255447

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)piperidin-1-yl]-3-methylpentan-1-one?
The IUPAC name of 1-[2-(1-aminoethyl)piperidin-1-yl]-3-methylpentan-1-one (CID 114875604) is 1-[2-(1-aminoethyl)piperidin-1-yl]-3-methylpentan-1-one.
What is the SMILES notation for 1-[2-(1-aminoethyl)piperidin-1-yl]-3-methylpentan-1-one?
The canonical SMILES for 1-[2-(1-aminoethyl)piperidin-1-yl]-3-methylpentan-1-one is CCC(C)CC(=O)N1CCCCC1C(C)N.
What is the InChIKey of 1-[2-(1-aminoethyl)piperidin-1-yl]-3-methylpentan-1-one?
The InChIKey is FQYOEHYSZOEOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-10(2)9-13(16)15-8-6-5-7-12(15)11(3)14/h10-12H,4-9,14H2,1-3H3.
What are the key properties of 1-[2-(1-aminoethyl)piperidin-1-yl]-3-methylpentan-1-one?
1-[2-(1-aminoethyl)piperidin-1-yl]-3-methylpentan-1-one has a molecular weight of 226.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)piperidin-1-yl]-3-methylpentan-1-one is sourced from PubChem (CID 114875604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).