2-amino-3-(4-hydroxyphenyl)-1-(4-propylpiperidin-1-yl)propan-1-one

C17H26N2O2 — CID 76937313

IUPAC2-amino-3-(4-hydroxyphenyl)-1-(4-propylpiperidin-1-yl)propan-1-one
SMILESCCCC1CCN(C(=O)C(N)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C17H26N2O2/c1-2-3-13-8-10-19(11-9-13)17(21)16(18)12-14-4-6-15(20)7-5-14/h4-7,13,16,20H,2-3,8-12,18H2,1H3
InChIKeyZZBNDHAZLRDQMK-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.30
Rot. Bonds5

About 2-amino-3-(4-hydroxyphenyl)-1-(4-propylpiperidin-1-yl)propan-1-one

2-amino-3-(4-hydroxyphenyl)-1-(4-propylpiperidin-1-yl)propan-1-one (PubChem CID 76937313) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-amino-3-(4-hydroxyphenyl)-1-(4-propylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-3-(4-hydroxyphenyl)-1-(4-propylpiperidin-1-yl)propan-1-one
PubChem CID76937313
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-amino-3-(4-hydroxyphenyl)-1-(4-propylpiperidin-1-yl)propan-1-one
SMILESCCCC1CCN(C(=O)C(N)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C17H26N2O2/c1-2-3-13-8-10-19(11-9-13)17(21)16(18)12-14-4-6-15(20)7-5-14/h4-7,13,16,20H,2-3,8-12,18H2,1H3
InChIKeyZZBNDHAZLRDQMK-UHFFFAOYSA-N
XLogP2.30
TPSA66.56 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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[4-(2-fluoroethyl)piperidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 70065985
(2S)-2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 61148613
(2R)-2-amino-1-(4-ethylazepan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 104905212
2-amino-3-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 76891872
(2R)-2-amino-3-(4-hydroxyphenyl)-1-(4-propylpiperazin-1-yl)propan-1-one
CID 104904641
2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 76891869
(2S)-2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 61148035
(2S)-2-amino-1-[4-(2-fluoroethyl)piperidin-1-yl]-3-[4-(methylamino)phenyl]propan-1-one
CID 70065911
2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119276181
(2S)-2-amino-3-(4-hydroxyphenyl)-1-(3-methoxypyrrolidin-1-yl)propan-1-one
CID 103533022
(2S)-2-amino-1-(3,5-dimethylpiperidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 61148000
1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 104905127

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-hydroxyphenyl)-1-(4-propylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-amino-3-(4-hydroxyphenyl)-1-(4-propylpiperidin-1-yl)propan-1-one (CID 76937313) is 2-amino-3-(4-hydroxyphenyl)-1-(4-propylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-3-(4-hydroxyphenyl)-1-(4-propylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-amino-3-(4-hydroxyphenyl)-1-(4-propylpiperidin-1-yl)propan-1-one is CCCC1CCN(C(=O)C(N)Cc2ccc(O)cc2)CC1.
What is the InChIKey of 2-amino-3-(4-hydroxyphenyl)-1-(4-propylpiperidin-1-yl)propan-1-one?
The InChIKey is ZZBNDHAZLRDQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-3-13-8-10-19(11-9-13)17(21)16(18)12-14-4-6-15(20)7-5-14/h4-7,13,16,20H,2-3,8-12,18H2,1H3.
What are the key properties of 2-amino-3-(4-hydroxyphenyl)-1-(4-propylpiperidin-1-yl)propan-1-one?
2-amino-3-(4-hydroxyphenyl)-1-(4-propylpiperidin-1-yl)propan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-hydroxyphenyl)-1-(4-propylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 76937313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).