1-[1-(2,3-dimethoxyphenyl)pentyl]piperidine-3-carboxylic acid

C19H29NO4 — CID 3979028

IUPAC1-[1-(2,3-dimethoxyphenyl)pentyl]piperidine-3-carboxylic acid
SMILESCCCCC(c1cccc(OC)c1OC)N1CCCC(C(=O)O)C1
InChIInChI=1S/C19H29NO4/c1-4-5-10-16(20-12-7-8-14(13-20)19(21)22)15-9-6-11-17(23-2)18(15)24-3/h6,9,11,14,16H,4-5,7-8,10,12-13H2,1-3H3,(H,21,22)
InChIKeyRCCJZUAYAPFHRI-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.73
Rot. Bonds8

About 1-[1-(2,3-dimethoxyphenyl)pentyl]piperidine-3-carboxylic acid

1-[1-(2,3-dimethoxyphenyl)pentyl]piperidine-3-carboxylic acid (PubChem CID 3979028) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is 1-[1-(2,3-dimethoxyphenyl)pentyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2,3-dimethoxyphenyl)pentyl]piperidine-3-carboxylic acid
PubChem CID3979028
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name1-[1-(2,3-dimethoxyphenyl)pentyl]piperidine-3-carboxylic acid
SMILESCCCCC(c1cccc(OC)c1OC)N1CCCC(C(=O)O)C1
InChIInChI=1S/C19H29NO4/c1-4-5-10-16(20-12-7-8-14(13-20)19(21)22)15-9-6-11-17(23-2)18(15)24-3/h6,9,11,14,16H,4-5,7-8,10,12-13H2,1-3H3,(H,21,22)
InChIKeyRCCJZUAYAPFHRI-UHFFFAOYSA-N
XLogP3.73
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,3-dimethoxyphenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 4528845
1-[(2,3-dimethoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-3-carboxylic acid
CID 4654889
1-[bis(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 5171074
1-[(2,3-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 5135598
1-[1-(3-bromophenyl)pentyl]piperidine-3-carboxylic acid
CID 3359274
1-[1-(2,3,4-trimethoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid
CID 3970545
1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 44890915
2-(2,3-dimethoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine
CID 43584302
1-[(4-phenylphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 5212471
1-[(3,4-diethoxyphenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 4004052
(2R)-2-(2,3-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine
CID 30069929
2-(2,3-dimethoxyphenyl)-2-(3-methylpiperidin-1-yl)acetic acid
CID 84747599

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dimethoxyphenyl)pentyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(2,3-dimethoxyphenyl)pentyl]piperidine-3-carboxylic acid (CID 3979028) is 1-[1-(2,3-dimethoxyphenyl)pentyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(2,3-dimethoxyphenyl)pentyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(2,3-dimethoxyphenyl)pentyl]piperidine-3-carboxylic acid is CCCCC(c1cccc(OC)c1OC)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[1-(2,3-dimethoxyphenyl)pentyl]piperidine-3-carboxylic acid?
The InChIKey is RCCJZUAYAPFHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-4-5-10-16(20-12-7-8-14(13-20)19(21)22)15-9-6-11-17(23-2)18(15)24-3/h6,9,11,14,16H,4-5,7-8,10,12-13H2,1-3H3,(H,21,22).
What are the key properties of 1-[1-(2,3-dimethoxyphenyl)pentyl]piperidine-3-carboxylic acid?
1-[1-(2,3-dimethoxyphenyl)pentyl]piperidine-3-carboxylic acid has a molecular weight of 335.44 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dimethoxyphenyl)pentyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 3979028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).