1-[4-[(2-propan-2-yloxyphenyl)methylamino]piperidin-1-yl]ethanone

C17H26N2O2 — CID 43224279

IUPAC1-[4-[(2-propan-2-yloxyphenyl)methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCc2ccccc2OC(C)C)CC1
InChIInChI=1S/C17H26N2O2/c1-13(2)21-17-7-5-4-6-15(17)12-18-16-8-10-19(11-9-16)14(3)20/h4-7,13,16,18H,8-12H2,1-3H3
InChIKeyXYSGGYPIODBREQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.57
Rot. Bonds5

About 1-[4-[(2-propan-2-yloxyphenyl)methylamino]piperidin-1-yl]ethanone

1-[4-[(2-propan-2-yloxyphenyl)methylamino]piperidin-1-yl]ethanone (PubChem CID 43224279) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[4-[(2-propan-2-yloxyphenyl)methylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(2-propan-2-yloxyphenyl)methylamino]piperidin-1-yl]ethanone
PubChem CID43224279
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[4-[(2-propan-2-yloxyphenyl)methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCc2ccccc2OC(C)C)CC1
InChIInChI=1S/C17H26N2O2/c1-13(2)21-17-7-5-4-6-15(17)12-18-16-8-10-19(11-9-16)14(3)20/h4-7,13,16,18H,8-12H2,1-3H3
InChIKeyXYSGGYPIODBREQ-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine
CID 129366909
N-[(2-propan-2-yloxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728521
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[(2-propan-2-yloxyphenyl)methyl]urea
CID 48957306
1-[4-[(2,3-dichlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43224238
1-[4-[2-(2-methoxyphenyl)ethylamino]piperidin-1-yl]ethanone
CID 23768743
3-methyl-N-[(2-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
CID 43432544
2-[2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylpropanamide
CID 43277371
1-[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43745932
N-[(2-propan-2-yloxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43763475
2-(2-propan-2-yloxyphenyl)-N-pyrrolidin-3-ylacetamide
CID 119450481
2-[2-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylpropanamide
CID 60883292
2-methyl-1-[2-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]propan-1-one
CID 165156803

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-propan-2-yloxyphenyl)methylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(2-propan-2-yloxyphenyl)methylamino]piperidin-1-yl]ethanone (CID 43224279) is 1-[4-[(2-propan-2-yloxyphenyl)methylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(2-propan-2-yloxyphenyl)methylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(2-propan-2-yloxyphenyl)methylamino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NCc2ccccc2OC(C)C)CC1.
What is the InChIKey of 1-[4-[(2-propan-2-yloxyphenyl)methylamino]piperidin-1-yl]ethanone?
The InChIKey is XYSGGYPIODBREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(2)21-17-7-5-4-6-15(17)12-18-16-8-10-19(11-9-16)14(3)20/h4-7,13,16,18H,8-12H2,1-3H3.
What are the key properties of 1-[4-[(2-propan-2-yloxyphenyl)methylamino]piperidin-1-yl]ethanone?
1-[4-[(2-propan-2-yloxyphenyl)methylamino]piperidin-1-yl]ethanone has a molecular weight of 290.41 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-propan-2-yloxyphenyl)methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 43224279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).