1-(4-aminopiperidin-1-yl)-2-methyl-2-(2-prop-2-enylphenoxy)propan-1-one

C18H26N2O2 — CID 92925332

IUPAC1-(4-aminopiperidin-1-yl)-2-methyl-2-(2-prop-2-enylphenoxy)propan-1-one
SMILESC=CCc1ccccc1OC(C)(C)C(=O)N1CCC(N)CC1
InChIInChI=1S/C18H26N2O2/c1-4-7-14-8-5-6-9-16(14)22-18(2,3)17(21)20-12-10-15(19)11-13-20/h4-6,8-9,15H,1,7,10-13,19H2,2-3H3
InChIKeySOKXNSPTWCRDJK-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.52
Rot. Bonds5

About 1-(4-aminopiperidin-1-yl)-2-methyl-2-(2-prop-2-enylphenoxy)propan-1-one

1-(4-aminopiperidin-1-yl)-2-methyl-2-(2-prop-2-enylphenoxy)propan-1-one (PubChem CID 92925332) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-methyl-2-(2-prop-2-enylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-methyl-2-(2-prop-2-enylphenoxy)propan-1-one
PubChem CID92925332
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-(4-aminopiperidin-1-yl)-2-methyl-2-(2-prop-2-enylphenoxy)propan-1-one
SMILESC=CCc1ccccc1OC(C)(C)C(=O)N1CCC(N)CC1
InChIInChI=1S/C18H26N2O2/c1-4-7-14-8-5-6-9-16(14)22-18(2,3)17(21)20-12-10-15(19)11-13-20/h4-6,8-9,15H,1,7,10-13,19H2,2-3H3
InChIKeySOKXNSPTWCRDJK-UHFFFAOYSA-N
XLogP2.52
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-methyl-2-(2-prop-2-enylphenoxy)propan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-methyl-2-(2-prop-2-enylphenoxy)propan-1-one (CID 92925332) is 1-(4-aminopiperidin-1-yl)-2-methyl-2-(2-prop-2-enylphenoxy)propan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-methyl-2-(2-prop-2-enylphenoxy)propan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-methyl-2-(2-prop-2-enylphenoxy)propan-1-one is C=CCc1ccccc1OC(C)(C)C(=O)N1CCC(N)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-methyl-2-(2-prop-2-enylphenoxy)propan-1-one?
The InChIKey is SOKXNSPTWCRDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-4-7-14-8-5-6-9-16(14)22-18(2,3)17(21)20-12-10-15(19)11-13-20/h4-6,8-9,15H,1,7,10-13,19H2,2-3H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-methyl-2-(2-prop-2-enylphenoxy)propan-1-one?
1-(4-aminopiperidin-1-yl)-2-methyl-2-(2-prop-2-enylphenoxy)propan-1-one has a molecular weight of 302.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-methyl-2-(2-prop-2-enylphenoxy)propan-1-one is sourced from PubChem (CID 92925332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).