3-[4-[(2-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]-2,2-dimethylpropanoic acid

C24H29NO3 — CID 143065867

IUPAC3-[4-[(2-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]-2,2-dimethylpropanoic acid
SMILESCOc1ccccc1C(=C1CCN(CC(C)(C)C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C24H29NO3/c1-24(2,23(26)27)17-25-15-13-19(14-16-25)22(18-9-5-4-6-10-18)20-11-7-8-12-21(20)28-3/h4-12H,13-17H2,1-3H3,(H,26,27)
InChIKeyXCVYPCCQVGOXQC-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.70
Rot. Bonds6

About 3-[4-[(2-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]-2,2-dimethylpropanoic acid

3-[4-[(2-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]-2,2-dimethylpropanoic acid (PubChem CID 143065867) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is 3-[4-[(2-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[4-[(2-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]-2,2-dimethylpropanoic acid
PubChem CID143065867
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name3-[4-[(2-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]-2,2-dimethylpropanoic acid
SMILESCOc1ccccc1C(=C1CCN(CC(C)(C)C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C24H29NO3/c1-24(2,23(26)27)17-25-15-13-19(14-16-25)22(18-9-5-4-6-10-18)20-11-7-8-12-21(20)28-3/h4-12H,13-17H2,1-3H3,(H,26,27)
InChIKeyXCVYPCCQVGOXQC-UHFFFAOYSA-N
XLogP4.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2-methoxyphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone
CID 23383783
4-[(2-methoxyphenyl)-(3-methylphenyl)methylidene]piperidine
CID 70910867
2-bromo-N-[2-[4-[(3-chlorophenyl)-(2-methoxyphenyl)methylidene]piperidin-1-yl]ethyl]benzenesulfonamide
CID 11273172
4-benzhydrylidene-1-ethylpiperidine
CID 19370284
1-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[(2-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethane-1,2-dione
CID 5279874
2-(4-benzhydrylidenepiperidin-1-yl)-1-phenylethanone
CID 110183664
methyl 2,2-dimethyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propanoate
CID 79619970
3-(azocan-1-yl)-2,2-dimethyl-1-phenylpropan-1-one
CID 63196246
1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 79055855
3-(azetidin-1-yl)-2,2-dimethylpropanoic acid
CID 66588470
(2-amino-3-methoxyphenyl)-phenylmethanone
CID 18185399
2-methylpropyl 2-(4-benzhydrylidenepiperidin-1-yl)acetate
CID 10138983

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[4-[(2-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]-2,2-dimethylpropanoic acid (CID 143065867) is 3-[4-[(2-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[4-[(2-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[4-[(2-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]-2,2-dimethylpropanoic acid is COc1ccccc1C(=C1CCN(CC(C)(C)C(=O)O)CC1)c1ccccc1.
What is the InChIKey of 3-[4-[(2-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]-2,2-dimethylpropanoic acid?
The InChIKey is XCVYPCCQVGOXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c1-24(2,23(26)27)17-25-15-13-19(14-16-25)22(18-9-5-4-6-10-18)20-11-7-8-12-21(20)28-3/h4-12H,13-17H2,1-3H3,(H,26,27).
What are the key properties of 3-[4-[(2-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]-2,2-dimethylpropanoic acid?
3-[4-[(2-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]-2,2-dimethylpropanoic acid has a molecular weight of 379.50 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 143065867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).