1-[4-[(propan-2-ylamino)methyl]phenyl]piperidine-2,6-dione

C15H20N2O2 — CID 106913349

IUPAC1-[4-[(propan-2-ylamino)methyl]phenyl]piperidine-2,6-dione
SMILESCC(C)NCc1ccc(N2C(=O)CCCC2=O)cc1
InChIInChI=1S/C15H20N2O2/c1-11(2)16-10-12-6-8-13(9-7-12)17-14(18)4-3-5-15(17)19/h6-9,11,16H,3-5,10H2,1-2H3
InChIKeyKGLINHCTIKQFRU-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.23
Rot. Bonds4

About 1-[4-[(propan-2-ylamino)methyl]phenyl]piperidine-2,6-dione

1-[4-[(propan-2-ylamino)methyl]phenyl]piperidine-2,6-dione (PubChem CID 106913349) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[4-[(propan-2-ylamino)methyl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[4-[(propan-2-ylamino)methyl]phenyl]piperidine-2,6-dione
PubChem CID106913349
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[4-[(propan-2-ylamino)methyl]phenyl]piperidine-2,6-dione
SMILESCC(C)NCc1ccc(N2C(=O)CCCC2=O)cc1
InChIInChI=1S/C15H20N2O2/c1-11(2)16-10-12-6-8-13(9-7-12)17-14(18)4-3-5-15(17)19/h6-9,11,16H,3-5,10H2,1-2H3
InChIKeyKGLINHCTIKQFRU-UHFFFAOYSA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[1-(ethylamino)ethyl]phenyl]piperidine-2,6-dione
CID 43653773
N-[(4-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 7060595
1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one
CID 113352085
1-[4-[(1,1-difluoropropan-2-ylamino)methyl]phenyl]pyrrolidin-2-one
CID 102867991
1-[4-[(pentan-2-ylamino)methyl]phenyl]pyrrolidin-2-one
CID 43203969
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 43280408
4-[4-[(propan-2-ylamino)methyl]phenyl]piperazin-2-one
CID 43281162
2-[4-[(propan-2-ylamino)methyl]phenyl]-1,2-benzothiazol-3-one
CID 106912059
1-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrolidine-2,5-dione
CID 917152
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-2-amine
CID 43163778
N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 43281242
N-[[4-(2-azaspiro[3.4]octan-2-yl)phenyl]methyl]propan-2-amine
CID 106913336

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(propan-2-ylamino)methyl]phenyl]piperidine-2,6-dione?
The IUPAC name of 1-[4-[(propan-2-ylamino)methyl]phenyl]piperidine-2,6-dione (CID 106913349) is 1-[4-[(propan-2-ylamino)methyl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[4-[(propan-2-ylamino)methyl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 1-[4-[(propan-2-ylamino)methyl]phenyl]piperidine-2,6-dione is CC(C)NCc1ccc(N2C(=O)CCCC2=O)cc1.
What is the InChIKey of 1-[4-[(propan-2-ylamino)methyl]phenyl]piperidine-2,6-dione?
The InChIKey is KGLINHCTIKQFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(2)16-10-12-6-8-13(9-7-12)17-14(18)4-3-5-15(17)19/h6-9,11,16H,3-5,10H2,1-2H3.
What are the key properties of 1-[4-[(propan-2-ylamino)methyl]phenyl]piperidine-2,6-dione?
1-[4-[(propan-2-ylamino)methyl]phenyl]piperidine-2,6-dione has a molecular weight of 260.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(propan-2-ylamino)methyl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 106913349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).