2-[4-[1-(methylamino)propyl]phenoxy]-1-piperidin-1-ylethanone

C17H26N2O2 — CID 43280073

IUPAC2-[4-[1-(methylamino)propyl]phenoxy]-1-piperidin-1-ylethanone
SMILESCCC(NC)c1ccc(OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-3-16(18-2)14-7-9-15(10-8-14)21-13-17(20)19-11-5-4-6-12-19/h7-10,16,18H,3-6,11-13H2,1-2H3
InChIKeyVZCLCHRPKKYGKU-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.75
Rot. Bonds6

About 2-[4-[1-(methylamino)propyl]phenoxy]-1-piperidin-1-ylethanone

2-[4-[1-(methylamino)propyl]phenoxy]-1-piperidin-1-ylethanone (PubChem CID 43280073) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[4-[1-(methylamino)propyl]phenoxy]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[1-(methylamino)propyl]phenoxy]-1-piperidin-1-ylethanone
PubChem CID43280073
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[4-[1-(methylamino)propyl]phenoxy]-1-piperidin-1-ylethanone
SMILESCCC(NC)c1ccc(OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-3-16(18-2)14-7-9-15(10-8-14)21-13-17(20)19-11-5-4-6-12-19/h7-10,16,18H,3-6,11-13H2,1-2H3
InChIKeyVZCLCHRPKKYGKU-UHFFFAOYSA-N
XLogP2.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-butan-2-ylphenoxy)-1-piperidin-1-ylethanone
CID 103599891
2-[4-(1-aminopropyl)phenoxy]-1-piperidin-1-ylethanone
CID 43186019
2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone
CID 54908646
1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone
CID 4732677
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 19169351
1-(azetidin-1-yl)-2-[4-(methylamino)phenoxy]ethanone
CID 61026928
N-cyclopropyl-N-methyl-2-[4-[1-(methylamino)propyl]phenoxy]acetamide
CID 61488716
1-(azepan-1-yl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]ethanone
CID 79105496
2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28561501
2-(1-phenylpropylamino)-1-piperidin-1-ylethanone
CID 54845364
4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide
CID 8566237

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(methylamino)propyl]phenoxy]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-[1-(methylamino)propyl]phenoxy]-1-piperidin-1-ylethanone (CID 43280073) is 2-[4-[1-(methylamino)propyl]phenoxy]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-[1-(methylamino)propyl]phenoxy]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-[1-(methylamino)propyl]phenoxy]-1-piperidin-1-ylethanone is CCC(NC)c1ccc(OCC(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-[4-[1-(methylamino)propyl]phenoxy]-1-piperidin-1-ylethanone?
The InChIKey is VZCLCHRPKKYGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-16(18-2)14-7-9-15(10-8-14)21-13-17(20)19-11-5-4-6-12-19/h7-10,16,18H,3-6,11-13H2,1-2H3.
What are the key properties of 2-[4-[1-(methylamino)propyl]phenoxy]-1-piperidin-1-ylethanone?
2-[4-[1-(methylamino)propyl]phenoxy]-1-piperidin-1-ylethanone has a molecular weight of 290.41 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(methylamino)propyl]phenoxy]-1-piperidin-1-ylethanone is sourced from PubChem (CID 43280073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).