(3R)-1-[2-[bis(4-chlorophenyl)methoxy]ethyl]piperidine-3-carboxylic acid

C21H23Cl2NO3 — CID 10319258

IUPAC(3R)-1-[2-[bis(4-chlorophenyl)methoxy]ethyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H23Cl2NO3/c22-18-7-3-15(4-8-18)20(16-5-9-19(23)10-6-16)27-13-12-24-11-1-2-17(14-24)21(25)26/h3-10,17,20H,1-2,11-14H2,(H,25,26)/t17-/m1/s1
InChIKeyUFHSGXOXBRCZTN-QGZVFWFLSA-N
MW408.33 g/mol
LogP4.90
Rot. Bonds7

About (3R)-1-[2-[bis(4-chlorophenyl)methoxy]ethyl]piperidine-3-carboxylic acid

(3R)-1-[2-[bis(4-chlorophenyl)methoxy]ethyl]piperidine-3-carboxylic acid (PubChem CID 10319258) has the molecular formula C21H23Cl2NO3 and a molecular weight of 408.33 g/mol. Its IUPAC name is (3R)-1-[2-[bis(4-chlorophenyl)methoxy]ethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[2-[bis(4-chlorophenyl)methoxy]ethyl]piperidine-3-carboxylic acid
PubChem CID10319258
Molecular FormulaC21H23Cl2NO3
Molecular Weight408.33 g/mol
Exact Mass407.11
IUPAC Name(3R)-1-[2-[bis(4-chlorophenyl)methoxy]ethyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H23Cl2NO3/c22-18-7-3-15(4-8-18)20(16-5-9-19(23)10-6-16)27-13-12-24-11-1-2-17(14-24)21(25)26/h3-10,17,20H,1-2,11-14H2,(H,25,26)/t17-/m1/s1
InChIKeyUFHSGXOXBRCZTN-QGZVFWFLSA-N
XLogP4.90
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride
CID 45265060
2-[1-[2-[bis(4-chlorophenyl)methoxy]ethyl]pyrrolidin-3-yl]acetic acid
CID 10476538
1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidine-3-carboxylic acid
CID 82215837
1-[2-(2,4-dichlorophenoxy)ethyl]piperidine-3-carboxylic acid
CID 43440816
(3R)-1-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid
CID 40647229
(3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid
CID 93048495
(3R)-1-[2-[3,3-bis(4-fluorophenyl)propoxy]ethyl]piperidine-3-carboxylic acid
CID 54147952
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine-4-carboxylic acid
CID 139851809
1-[bis(4-chlorophenyl)methyl]piperidine-3-carboxylic acid
CID 4588765
(3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 27440266
(3R)-1-[2-[2-(2,9-dichloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride
CID 24842602
bis((Z)-but-2-enedioic acid);1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-4-cyclohexylpiperazine
CID 6436584

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[bis(4-chlorophenyl)methoxy]ethyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[2-[bis(4-chlorophenyl)methoxy]ethyl]piperidine-3-carboxylic acid (CID 10319258) is (3R)-1-[2-[bis(4-chlorophenyl)methoxy]ethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[2-[bis(4-chlorophenyl)methoxy]ethyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[2-[bis(4-chlorophenyl)methoxy]ethyl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1.
What is the InChIKey of (3R)-1-[2-[bis(4-chlorophenyl)methoxy]ethyl]piperidine-3-carboxylic acid?
The InChIKey is UFHSGXOXBRCZTN-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23Cl2NO3/c22-18-7-3-15(4-8-18)20(16-5-9-19(23)10-6-16)27-13-12-24-11-1-2-17(14-24)21(25)26/h3-10,17,20H,1-2,11-14H2,(H,25,26)/t17-/m1/s1.
What are the key properties of (3R)-1-[2-[bis(4-chlorophenyl)methoxy]ethyl]piperidine-3-carboxylic acid?
(3R)-1-[2-[bis(4-chlorophenyl)methoxy]ethyl]piperidine-3-carboxylic acid has a molecular weight of 408.33 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[bis(4-chlorophenyl)methoxy]ethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 10319258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).