[4-(1-aminoethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone

C15H22N2O3 — CID 63597089

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCC(C(C)N)CC2)c1O
InChIInChI=1S/C15H22N2O3/c1-10(16)11-6-8-17(9-7-11)15(19)12-4-3-5-13(20-2)14(12)18/h3-5,10-11,18H,6-9,16H2,1-2H3
InChIKeyJRRKJUIRBARHSM-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.60
Rot. Bonds3

About [4-(1-aminoethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone

[4-(1-aminoethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone (PubChem CID 63597089) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
PubChem CID63597089
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCC(C(C)N)CC2)c1O
InChIInChI=1S/C15H22N2O3/c1-10(16)11-6-8-17(9-7-11)15(19)12-4-3-5-13(20-2)14(12)18/h3-5,10-11,18H,6-9,16H2,1-2H3
InChIKeyJRRKJUIRBARHSM-UHFFFAOYSA-N
XLogP1.60
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydroxyphenyl)methanone
CID 114345026
(4-chloropiperidin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
CID 63390939
[4-(1-aminoethyl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 65433856
(2-amino-3-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504954
(2-hydroxy-3-methoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 62045617
(2-amino-3-methoxyphenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835115
1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 63007028
[4-(1-aminoethyl)piperidin-1-yl]-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 119517185
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 113360696
(2-hydroxy-3-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64599551
(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
CID 112760338
(2-hydroxy-3-methoxyphenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498303

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone (CID 63597089) is [4-(1-aminoethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCC(C(C)N)CC2)c1O.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone?
The InChIKey is JRRKJUIRBARHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(16)11-6-8-17(9-7-11)15(19)12-4-3-5-13(20-2)14(12)18/h3-5,10-11,18H,6-9,16H2,1-2H3.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone?
[4-(1-aminoethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone has a molecular weight of 278.35 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone is sourced from PubChem (CID 63597089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).