1-(3-aminopiperidin-1-yl)-3-(2,3,5-trimethylphenoxy)propan-1-one

C17H26N2O2 — CID 119378169

IUPAC1-(3-aminopiperidin-1-yl)-3-(2,3,5-trimethylphenoxy)propan-1-one
SMILESCc1cc(C)c(C)c(OCCC(=O)N2CCCC(N)C2)c1
InChIInChI=1S/C17H26N2O2/c1-12-9-13(2)14(3)16(10-12)21-8-6-17(20)19-7-4-5-15(18)11-19/h9-10,15H,4-8,11,18H2,1-3H3
InChIKeyILUDKSZZDGFCMO-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.33
Rot. Bonds4

About 1-(3-aminopiperidin-1-yl)-3-(2,3,5-trimethylphenoxy)propan-1-one

1-(3-aminopiperidin-1-yl)-3-(2,3,5-trimethylphenoxy)propan-1-one (PubChem CID 119378169) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-3-(2,3,5-trimethylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-3-(2,3,5-trimethylphenoxy)propan-1-one
PubChem CID119378169
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(3-aminopiperidin-1-yl)-3-(2,3,5-trimethylphenoxy)propan-1-one
SMILESCc1cc(C)c(C)c(OCCC(=O)N2CCCC(N)C2)c1
InChIInChI=1S/C17H26N2O2/c1-12-9-13(2)14(3)16(10-12)21-8-6-17(20)19-7-4-5-15(18)11-19/h9-10,15H,4-8,11,18H2,1-3H3
InChIKeyILUDKSZZDGFCMO-UHFFFAOYSA-N
XLogP2.33
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-aminopiperidin-1-yl]-3-(2,5-dimethylphenoxy)propan-1-one
CID 124593638
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2,3,5-trimethylphenoxy)propan-1-one;hydrochloride
CID 119631733
1-[(3R)-3-aminopiperidin-1-yl]-3-(2-methoxyphenoxy)propan-1-one
CID 124593466
1-[(3S)-3-aminopiperidin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one
CID 124628215
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-(2,3,5-trimethylphenoxy)propan-1-one
CID 119662243
3-(2,4-dimethylphenoxy)-1-[(3R)-3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 124594599
1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
CID 119377741
3-(2,4-dimethylphenoxy)-1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 124575300
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-3-(2,4-dimethylphenoxy)propan-1-one
CID 124611665
3-(2,5-dimethylphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 124575112
1-(3-aminopiperidin-1-yl)-3-(2-nitrophenoxy)propan-1-one;hydrochloride
CID 119379852
1-amino-2-[2-(2,3,5-trimethylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 79586493

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-3-(2,3,5-trimethylphenoxy)propan-1-one?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-3-(2,3,5-trimethylphenoxy)propan-1-one (CID 119378169) is 1-(3-aminopiperidin-1-yl)-3-(2,3,5-trimethylphenoxy)propan-1-one.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-3-(2,3,5-trimethylphenoxy)propan-1-one?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-3-(2,3,5-trimethylphenoxy)propan-1-one is Cc1cc(C)c(C)c(OCCC(=O)N2CCCC(N)C2)c1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-3-(2,3,5-trimethylphenoxy)propan-1-one?
The InChIKey is ILUDKSZZDGFCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-9-13(2)14(3)16(10-12)21-8-6-17(20)19-7-4-5-15(18)11-19/h9-10,15H,4-8,11,18H2,1-3H3.
What are the key properties of 1-(3-aminopiperidin-1-yl)-3-(2,3,5-trimethylphenoxy)propan-1-one?
1-(3-aminopiperidin-1-yl)-3-(2,3,5-trimethylphenoxy)propan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-3-(2,3,5-trimethylphenoxy)propan-1-one is sourced from PubChem (CID 119378169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).