1-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidine-3-carboxylic acid

C16H23NO4 — CID 84747688

IUPAC1-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidine-3-carboxylic acid
SMILESCOc1cc(CC(C)N2CCCC(C(=O)O)C2)ccc1O
InChIInChI=1S/C16H23NO4/c1-11(17-7-3-4-13(10-17)16(19)20)8-12-5-6-14(18)15(9-12)21-2/h5-6,9,11,13,18H,3-4,7-8,10H2,1-2H3,(H,19,20)
InChIKeyANCLFKFGUZHRPP-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.13
Rot. Bonds5

About 1-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidine-3-carboxylic acid

1-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidine-3-carboxylic acid (PubChem CID 84747688) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 1-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidine-3-carboxylic acid
PubChem CID84747688
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name1-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidine-3-carboxylic acid
SMILESCOc1cc(CC(C)N2CCCC(C(=O)O)C2)ccc1O
InChIInChI=1S/C16H23NO4/c1-11(17-7-3-4-13(10-17)16(19)20)8-12-5-6-14(18)15(9-12)21-2/h5-6,9,11,13,18H,3-4,7-8,10H2,1-2H3,(H,19,20)
InChIKeyANCLFKFGUZHRPP-UHFFFAOYSA-N
XLogP2.13
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-hydroxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066376
1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]piperidine-3-carboxylic acid
CID 82260777
2-methoxy-4-[(2R)-2-thiomorpholin-4-ylpropyl]phenol
CID 40514865
1-[1-(2-methoxy-5-methylphenyl)-1-oxopropan-2-yl]piperidine-3-carboxylic acid
CID 82026424
(3R)-1-[(2R)-1-phenylpropan-2-yl]pyrrolidine-3-carboxylic acid
CID 129413681
1-[bis(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 5171074
1-[1-(3-fluorophenyl)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 114834766
1-[1-(3-fluorophenyl)-3-methylbutan-2-yl]piperidine-3-carboxylic acid
CID 84751556
1-[(3S)-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-3-yl]-2-phenylethanone
CID 95888911
1-[phenyl-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 3973428
2-(4-hydroxy-3-methoxyphenyl)ethane-1,1-diol
CID 146954758
(3R)-N,N-diethyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 40501214

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidine-3-carboxylic acid (CID 84747688) is 1-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidine-3-carboxylic acid is COc1cc(CC(C)N2CCCC(C(=O)O)C2)ccc1O.
What is the InChIKey of 1-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidine-3-carboxylic acid?
The InChIKey is ANCLFKFGUZHRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11(17-7-3-4-13(10-17)16(19)20)8-12-5-6-14(18)15(9-12)21-2/h5-6,9,11,13,18H,3-4,7-8,10H2,1-2H3,(H,19,20).
What are the key properties of 1-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidine-3-carboxylic acid?
1-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidine-3-carboxylic acid has a molecular weight of 293.36 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidine-3-carboxylic acid is sourced from PubChem (CID 84747688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).