1-(3-methoxy-2-methylpropyl)-4-phenylpiperidine-4-carboxylic acid

C17H25NO3 — CID 116503324

IUPAC1-(3-methoxy-2-methylpropyl)-4-phenylpiperidine-4-carboxylic acid
SMILESCOCC(C)CN1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C17H25NO3/c1-14(13-21-2)12-18-10-8-17(9-11-18,16(19)20)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,19,20)
InChIKeyLJGQWZVREUPLNM-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.39
Rot. Bonds6

About 1-(3-methoxy-2-methylpropyl)-4-phenylpiperidine-4-carboxylic acid

1-(3-methoxy-2-methylpropyl)-4-phenylpiperidine-4-carboxylic acid (PubChem CID 116503324) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(3-methoxy-2-methylpropyl)-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxy-2-methylpropyl)-4-phenylpiperidine-4-carboxylic acid
PubChem CID116503324
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-(3-methoxy-2-methylpropyl)-4-phenylpiperidine-4-carboxylic acid
SMILESCOCC(C)CN1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C17H25NO3/c1-14(13-21-2)12-18-10-8-17(9-11-18,16(19)20)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,19,20)
InChIKeyLJGQWZVREUPLNM-UHFFFAOYSA-N
XLogP2.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylphenyl)-1-(2-methylpropyl)piperidine-4-carboxylic acid
CID 95478200
1-(3-methoxy-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid
CID 116503311
1-hexyl-4-phenylpiperidine-4-carboxylic acid;hydrochloride
CID 67764311
1-ethyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxylic acid
CID 95478207
1-[(2S)-2-but-3-enoxypropanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 97233581
1-(2-phenoxypropanoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433322
N-(1-methoxypropan-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 134057156
ethyl 1-[2-(dimethylamino)-2-phenylethyl]-4-phenylpiperidine-4-carboxylate
CID 26013
1-[2-(methylamino)propanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 62639706
1-[(2-fluorophenyl)methyl]-4-phenylpiperidine-4-carboxylic acid
CID 91252279
methyl 4-phenyl-1-(propan-2-ylcarbamoyl)piperidine-4-carboxylate
CID 87012984
1-[(3-carboxy-4-methoxyphenyl)methyl]-3-phenylpyrrolidine-3-carboxylic acid
CID 91836844

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-methylpropyl)-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-methoxy-2-methylpropyl)-4-phenylpiperidine-4-carboxylic acid (CID 116503324) is 1-(3-methoxy-2-methylpropyl)-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-methoxy-2-methylpropyl)-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-methoxy-2-methylpropyl)-4-phenylpiperidine-4-carboxylic acid is COCC(C)CN1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 1-(3-methoxy-2-methylpropyl)-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is LJGQWZVREUPLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-14(13-21-2)12-18-10-8-17(9-11-18,16(19)20)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,19,20).
What are the key properties of 1-(3-methoxy-2-methylpropyl)-4-phenylpiperidine-4-carboxylic acid?
1-(3-methoxy-2-methylpropyl)-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-methylpropyl)-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 116503324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).