4-methoxy-1-phenylpiperidine-4-carboxylic acid

C13H17NO3 — CID 106821204

IUPAC4-methoxy-1-phenylpiperidine-4-carboxylic acid
SMILESCOC1(C(=O)O)CCN(c2ccccc2)CC1
InChIInChI=1S/C13H17NO3/c1-17-13(12(15)16)7-9-14(10-8-13)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,16)
InChIKeyFUENISIJIZODKA-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.76
Rot. Bonds3

About 4-methoxy-1-phenylpiperidine-4-carboxylic acid

4-methoxy-1-phenylpiperidine-4-carboxylic acid (PubChem CID 106821204) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-methoxy-1-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-phenylpiperidine-4-carboxylic acid
PubChem CID106821204
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-methoxy-1-phenylpiperidine-4-carboxylic acid
SMILESCOC1(C(=O)O)CCN(c2ccccc2)CC1
InChIInChI=1S/C13H17NO3/c1-17-13(12(15)16)7-9-14(10-8-13)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,16)
InChIKeyFUENISIJIZODKA-UHFFFAOYSA-N
XLogP1.76
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-hydroxypropoxy)-1-phenylpiperidine-4-carboxylic acid
CID 106821207
4-(methoxycarbonylamino)-1-phenylpiperidine-4-carboxylic acid
CID 167851958
methyl 4-amino-1-phenylpiperidine-4-carboxylate;hydrochloride
CID 91798655
methyl 1-phenyl-4-(propan-2-ylamino)piperidine-4-carboxylate
CID 106820599
methyl 1-phenyl-4-(prop-2-ynylamino)piperidine-4-carboxylate
CID 106820622
1-phenyl-4-propan-2-ylpiperidin-4-ol
CID 106820875
2-[4-(methylamino)-1-phenylpiperidin-4-yl]acetic acid
CID 106821085
4-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxamide;dihydrochloride
CID 119870712
1-benzyl-4-ethoxypiperidine-4-carboxylic acid
CID 84711075
4-(3-fluorophenoxy)-1-pyridin-4-ylpiperidine-4-carboxylic acid
CID 56891308
3-methoxy-1-(5-methoxyquinazolin-4-yl)pyrrolidine-3-carboxylic acid
CID 154771473
methyl 4-[(4-bromophenyl)methylamino]-1-phenylpiperidine-4-carboxylate
CID 138707390

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 4-methoxy-1-phenylpiperidine-4-carboxylic acid (CID 106821204) is 4-methoxy-1-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-methoxy-1-phenylpiperidine-4-carboxylic acid is COC1(C(=O)O)CCN(c2ccccc2)CC1.
What is the InChIKey of 4-methoxy-1-phenylpiperidine-4-carboxylic acid?
The InChIKey is FUENISIJIZODKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-17-13(12(15)16)7-9-14(10-8-13)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,16).
What are the key properties of 4-methoxy-1-phenylpiperidine-4-carboxylic acid?
4-methoxy-1-phenylpiperidine-4-carboxylic acid has a molecular weight of 235.28 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106821204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).