2-[1-(4-hydroxyphenyl)propylamino]-1-piperidin-1-ylpropan-1-one

C17H26N2O2 — CID 60930878

IUPAC2-[1-(4-hydroxyphenyl)propylamino]-1-piperidin-1-ylpropan-1-one
SMILESCCC(NC(C)C(=O)N1CCCCC1)c1ccc(O)cc1
InChIInChI=1S/C17H26N2O2/c1-3-16(14-7-9-15(20)10-8-14)18-13(2)17(21)19-11-5-4-6-12-19/h7-10,13,16,18,20H,3-6,11-12H2,1-2H3
InChIKeyBLVSGQUPDDKPLW-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.83
Rot. Bonds5

About 2-[1-(4-hydroxyphenyl)propylamino]-1-piperidin-1-ylpropan-1-one

2-[1-(4-hydroxyphenyl)propylamino]-1-piperidin-1-ylpropan-1-one (PubChem CID 60930878) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[1-(4-hydroxyphenyl)propylamino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[1-(4-hydroxyphenyl)propylamino]-1-piperidin-1-ylpropan-1-one
PubChem CID60930878
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[1-(4-hydroxyphenyl)propylamino]-1-piperidin-1-ylpropan-1-one
SMILESCCC(NC(C)C(=O)N1CCCCC1)c1ccc(O)cc1
InChIInChI=1S/C17H26N2O2/c1-3-16(14-7-9-15(20)10-8-14)18-13(2)17(21)19-11-5-4-6-12-19/h7-10,13,16,18,20H,3-6,11-12H2,1-2H3
InChIKeyBLVSGQUPDDKPLW-UHFFFAOYSA-N
XLogP2.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-chlorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115576764
2-[1-(4-hydroxyphenyl)propylamino]propanoic acid
CID 61499813
2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one
CID 43083625
4-[1-(piperidin-1-ylamino)propyl]phenol
CID 83006476
1-(azepan-1-yl)-2-[1-(4-fluorophenyl)ethylamino]propan-1-one
CID 60676626
(2S)-2-(pentan-2-ylamino)-1-piperidin-1-ylpropan-1-one
CID 103902059
2-[(5-hydroxy-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 113384058
2-[1-(3-bromophenyl)propylamino]-1-morpholin-4-ylpropan-1-one
CID 115889708
1-(cyclopentanecarbonyl)-N-[(1R)-1-(4-hydroxyphenyl)propyl]piperidine-4-carboxamide
CID 97189714
2-(pentan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083652
2-(1-piperidin-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 54938177
2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 110280633

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-hydroxyphenyl)propylamino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[1-(4-hydroxyphenyl)propylamino]-1-piperidin-1-ylpropan-1-one (CID 60930878) is 2-[1-(4-hydroxyphenyl)propylamino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[1-(4-hydroxyphenyl)propylamino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[1-(4-hydroxyphenyl)propylamino]-1-piperidin-1-ylpropan-1-one is CCC(NC(C)C(=O)N1CCCCC1)c1ccc(O)cc1.
What is the InChIKey of 2-[1-(4-hydroxyphenyl)propylamino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is BLVSGQUPDDKPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-16(14-7-9-15(20)10-8-14)18-13(2)17(21)19-11-5-4-6-12-19/h7-10,13,16,18,20H,3-6,11-12H2,1-2H3.
What are the key properties of 2-[1-(4-hydroxyphenyl)propylamino]-1-piperidin-1-ylpropan-1-one?
2-[1-(4-hydroxyphenyl)propylamino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxyphenyl)propylamino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 60930878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).