4-[4-[(R)-(2-chlorophenyl)-phenylmethyl]piperazin-1-yl]butanoic acid

C21H25ClN2O2 — CID 124564536

IUPAC4-[4-[(R)-(2-chlorophenyl)-phenylmethyl]piperazin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1
InChIInChI=1S/C21H25ClN2O2/c22-19-10-5-4-9-18(19)21(17-7-2-1-3-8-17)24-15-13-23(14-16-24)12-6-11-20(25)26/h1-5,7-10,21H,6,11-16H2,(H,25,26)/t21-/m1/s1
InChIKeyIPWCATQHRUVJSV-OAQYLSRUSA-N
MW372.90 g/mol
LogP3.91
Rot. Bonds7

About 4-[4-[(R)-(2-chlorophenyl)-phenylmethyl]piperazin-1-yl]butanoic acid

4-[4-[(R)-(2-chlorophenyl)-phenylmethyl]piperazin-1-yl]butanoic acid (PubChem CID 124564536) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 4-[4-[(R)-(2-chlorophenyl)-phenylmethyl]piperazin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-[(R)-(2-chlorophenyl)-phenylmethyl]piperazin-1-yl]butanoic acid
PubChem CID124564536
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name4-[4-[(R)-(2-chlorophenyl)-phenylmethyl]piperazin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1
InChIInChI=1S/C21H25ClN2O2/c22-19-10-5-4-9-18(19)21(17-7-2-1-3-8-17)24-15-13-23(14-16-24)12-6-11-20(25)26/h1-5,7-10,21H,6,11-16H2,(H,25,26)/t21-/m1/s1
InChIKeyIPWCATQHRUVJSV-OAQYLSRUSA-N
XLogP3.91
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(2-chlorophenyl)-phenylmethoxy]piperidin-1-yl]butanoic acid;hydrochloride
CID 67831658
1-[4-[(2-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 10005964
1-[4-[(2-chlorophenyl)-phenylmethyl]piperazin-1-yl]-4-(methylamino)butan-1-one;dihydrochloride
CID 119874454
ethyl 4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]butanoate
CID 54551430
1-benzhydryl-4-(3-chloropropyl)piperazine
CID 10936372
1-[bis(2-chlorophenyl)methyl]-4-butyl-1,4-diazepane
CID 20795229
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine;oxalic acid
CID 71411854
10-(4-benzhydrylpiperazin-1-yl)decane-1-sulfonic acid
CID 19700573
4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]butanoic acid
CID 119994229
1-benzhydryl-4-octylpiperazine
CID 12006583
3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]propan-1-amine
CID 174296137
1-benzhydryl-4-butylpiperazine
CID 13416419

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(R)-(2-chlorophenyl)-phenylmethyl]piperazin-1-yl]butanoic acid?
The IUPAC name of 4-[4-[(R)-(2-chlorophenyl)-phenylmethyl]piperazin-1-yl]butanoic acid (CID 124564536) is 4-[4-[(R)-(2-chlorophenyl)-phenylmethyl]piperazin-1-yl]butanoic acid.
What is the SMILES notation for 4-[4-[(R)-(2-chlorophenyl)-phenylmethyl]piperazin-1-yl]butanoic acid?
The canonical SMILES for 4-[4-[(R)-(2-chlorophenyl)-phenylmethyl]piperazin-1-yl]butanoic acid is O=C(O)CCCN1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1.
What is the InChIKey of 4-[4-[(R)-(2-chlorophenyl)-phenylmethyl]piperazin-1-yl]butanoic acid?
The InChIKey is IPWCATQHRUVJSV-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c22-19-10-5-4-9-18(19)21(17-7-2-1-3-8-17)24-15-13-23(14-16-24)12-6-11-20(25)26/h1-5,7-10,21H,6,11-16H2,(H,25,26)/t21-/m1/s1.
What are the key properties of 4-[4-[(R)-(2-chlorophenyl)-phenylmethyl]piperazin-1-yl]butanoic acid?
4-[4-[(R)-(2-chlorophenyl)-phenylmethyl]piperazin-1-yl]butanoic acid has a molecular weight of 372.90 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(R)-(2-chlorophenyl)-phenylmethyl]piperazin-1-yl]butanoic acid is sourced from PubChem (CID 124564536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).