2-[4-(2-aminopropyl)phenoxy]-1-piperidin-1-ylpropan-1-one

C17H26N2O2 — CID 60906848

IUPAC2-[4-(2-aminopropyl)phenoxy]-1-piperidin-1-ylpropan-1-one
SMILESCC(N)Cc1ccc(OC(C)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-13(18)12-15-6-8-16(9-7-15)21-14(2)17(20)19-10-4-3-5-11-19/h6-9,13-14H,3-5,10-12,18H2,1-2H3
InChIKeyBHZFNDDZHNLLQT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.36
Rot. Bonds5

About 2-[4-(2-aminopropyl)phenoxy]-1-piperidin-1-ylpropan-1-one

2-[4-(2-aminopropyl)phenoxy]-1-piperidin-1-ylpropan-1-one (PubChem CID 60906848) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[4-(2-aminopropyl)phenoxy]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-(2-aminopropyl)phenoxy]-1-piperidin-1-ylpropan-1-one
PubChem CID60906848
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[4-(2-aminopropyl)phenoxy]-1-piperidin-1-ylpropan-1-one
SMILESCC(N)Cc1ccc(OC(C)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-13(18)12-15-6-8-16(9-7-15)21-14(2)17(20)19-10-4-3-5-11-19/h6-9,13-14H,3-5,10-12,18H2,1-2H3
InChIKeyBHZFNDDZHNLLQT-UHFFFAOYSA-N
XLogP2.36
TPSA55.56 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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-aminopropyl)phenoxy]-1-piperidin-1-ylpropan-1-one
CID 60906549
2-[4-(3-hydroxybutyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 43504093
2-[4-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 43276881
2-(4-ethylphenoxy)-1-[4-[2-(4-ethylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981285
2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 43143333
(2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 94299244
(2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 95358331
2-[3-(1-aminoethyl)phenoxy]-1-piperidin-1-ylpropan-1-one
CID 43116396
1-(azepan-1-yl)-2-(4-methylsulfanylphenoxy)propan-1-one
CID 86909547
2-[4-(aminomethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43115804
2-(4-hydroxyphenoxy)-1-[4-[2-(4-hydroxyphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 108545473
N-methyl-N-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxyphenyl]methanesulfonamide
CID 95554661

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopropyl)phenoxy]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[4-(2-aminopropyl)phenoxy]-1-piperidin-1-ylpropan-1-one (CID 60906848) is 2-[4-(2-aminopropyl)phenoxy]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[4-(2-aminopropyl)phenoxy]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[4-(2-aminopropyl)phenoxy]-1-piperidin-1-ylpropan-1-one is CC(N)Cc1ccc(OC(C)C(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-[4-(2-aminopropyl)phenoxy]-1-piperidin-1-ylpropan-1-one?
The InChIKey is BHZFNDDZHNLLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(18)12-15-6-8-16(9-7-15)21-14(2)17(20)19-10-4-3-5-11-19/h6-9,13-14H,3-5,10-12,18H2,1-2H3.
What are the key properties of 2-[4-(2-aminopropyl)phenoxy]-1-piperidin-1-ylpropan-1-one?
2-[4-(2-aminopropyl)phenoxy]-1-piperidin-1-ylpropan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopropyl)phenoxy]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 60906848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).