4-[2-[4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-1-yl]ethoxy]benzoic acid

C24H29NO3 — CID 159855488

IUPAC4-[2-[4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-1-yl]ethoxy]benzoic acid
SMILESO=C(O)c1ccc(OCCN2CCC(C[C@@H]3C[C@H]3c3ccccc3)CC2)cc1
InChIInChI=1S/C24H29NO3/c26-24(27)20-6-8-22(9-7-20)28-15-14-25-12-10-18(11-13-25)16-21-17-23(21)19-4-2-1-3-5-19/h1-9,18,21,23H,10-17H2,(H,26,27)/t21-,23+/m1/s1
InChIKeyNQMABLYICIUBOH-GGAORHGYSA-N
MW379.50 g/mol
LogP4.67
Rot. Bonds8

About 4-[2-[4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-1-yl]ethoxy]benzoic acid

4-[2-[4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-1-yl]ethoxy]benzoic acid (PubChem CID 159855488) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is 4-[2-[4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-1-yl]ethoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-[4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-1-yl]ethoxy]benzoic acid
PubChem CID159855488
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name4-[2-[4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-1-yl]ethoxy]benzoic acid
SMILESO=C(O)c1ccc(OCCN2CCC(C[C@@H]3C[C@H]3c3ccccc3)CC2)cc1
InChIInChI=1S/C24H29NO3/c26-24(27)20-6-8-22(9-7-20)28-15-14-25-12-10-18(11-13-25)16-21-17-23(21)19-4-2-1-3-5-19/h1-9,18,21,23H,10-17H2,(H,26,27)/t21-,23+/m1/s1
InChIKeyNQMABLYICIUBOH-GGAORHGYSA-N
XLogP4.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-[4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-1-yl]ethoxy]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxyethyl)-4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine
CID 149331751
4-[3-(4-aminopiperidin-1-yl)propoxy]benzoic acid
CID 129300145
1-benzyl-4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine
CID 173472767
4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid
CID 2923141
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid
CID 18678227
[1-(2-phenoxyethyl)piperidin-4-yl]methanamine;hydrochloride
CID 119909793
4-[2-(4-oxopiperidin-1-yl)ethoxy]benzoic acid
CID 22685674
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
(2-phenylcyclopropyl)-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 72962194
methane;4-(2-piperidin-1-ylethoxy)benzoic acid;4-(2-piperidin-1-ylethoxy)benzoyl chloride
CID 161045120
4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol
CID 10086803

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-1-yl]ethoxy]benzoic acid?
The IUPAC name of 4-[2-[4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-1-yl]ethoxy]benzoic acid (CID 159855488) is 4-[2-[4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-1-yl]ethoxy]benzoic acid.
What is the SMILES notation for 4-[2-[4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-1-yl]ethoxy]benzoic acid?
The canonical SMILES for 4-[2-[4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-1-yl]ethoxy]benzoic acid is O=C(O)c1ccc(OCCN2CCC(C[C@@H]3C[C@H]3c3ccccc3)CC2)cc1.
What is the InChIKey of 4-[2-[4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-1-yl]ethoxy]benzoic acid?
The InChIKey is NQMABLYICIUBOH-GGAORHGYSA-N. The full InChI is InChI=1S/C24H29NO3/c26-24(27)20-6-8-22(9-7-20)28-15-14-25-12-10-18(11-13-25)16-21-17-23(21)19-4-2-1-3-5-19/h1-9,18,21,23H,10-17H2,(H,26,27)/t21-,23+/m1/s1.
What are the key properties of 4-[2-[4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-1-yl]ethoxy]benzoic acid?
4-[2-[4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-1-yl]ethoxy]benzoic acid has a molecular weight of 379.50 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-1-yl]ethoxy]benzoic acid is sourced from PubChem (CID 159855488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).