1-[1-(4-methoxyphenyl)propyl]-4-methylpiperidine-4-carboxylic acid

C17H25NO3 — CID 65065150

IUPAC1-[1-(4-methoxyphenyl)propyl]-4-methylpiperidine-4-carboxylic acid
SMILESCCC(c1ccc(OC)cc1)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C17H25NO3/c1-4-15(13-5-7-14(21-3)8-6-13)18-11-9-17(2,10-12-18)16(19)20/h5-8,15H,4,9-12H2,1-3H3,(H,19,20)
InChIKeyVFCBUTBSKSWWTE-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.33
Rot. Bonds5

About 1-[1-(4-methoxyphenyl)propyl]-4-methylpiperidine-4-carboxylic acid

1-[1-(4-methoxyphenyl)propyl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 65065150) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)propyl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)propyl]-4-methylpiperidine-4-carboxylic acid
PubChem CID65065150
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-[1-(4-methoxyphenyl)propyl]-4-methylpiperidine-4-carboxylic acid
SMILESCCC(c1ccc(OC)cc1)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C17H25NO3/c1-4-15(13-5-7-14(21-3)8-6-13)18-11-9-17(2,10-12-18)16(19)20/h5-8,15H,4,9-12H2,1-3H3,(H,19,20)
InChIKeyVFCBUTBSKSWWTE-UHFFFAOYSA-N
XLogP3.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[1-(4-methylphenyl)propyl]piperidine-4-carboxylic acid
CID 65065296
1-[1-(4-methoxyphenyl)propyl]piperazine
CID 3971378
1-[1-(furan-2-yl)propyl]-4-methylpiperidine-4-carboxylic acid
CID 65064562
(3R)-3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 8022836
3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 64527154
1-[2-(4-methoxyphenyl)propyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122046366
1-[1-[1-(4-methoxyphenyl)propyl]piperidin-4-yl]ethanamine
CID 63595827
(3S)-1-[(3R)-3-(4-methoxyphenyl)butanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124686852
(3S)-1-[(3S)-3-(4-methoxyphenyl)butanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124686012
(3R)-1-[(3S)-3-(4-methoxyphenyl)butanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124686007
(3R)-1-[(2R)-3-(4-methoxyphenyl)-2-methylpropanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124686578
1-[1-(4-ethoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 65064258

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)propyl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(4-methoxyphenyl)propyl]-4-methylpiperidine-4-carboxylic acid (CID 65065150) is 1-[1-(4-methoxyphenyl)propyl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)propyl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(4-methoxyphenyl)propyl]-4-methylpiperidine-4-carboxylic acid is CCC(c1ccc(OC)cc1)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)propyl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is VFCBUTBSKSWWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-15(13-5-7-14(21-3)8-6-13)18-11-9-17(2,10-12-18)16(19)20/h5-8,15H,4,9-12H2,1-3H3,(H,19,20).
What are the key properties of 1-[1-(4-methoxyphenyl)propyl]-4-methylpiperidine-4-carboxylic acid?
1-[1-(4-methoxyphenyl)propyl]-4-methylpiperidine-4-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)propyl]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 65065150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).