1-[(R)-cyclopropyl-(2-phenylmethoxyphenyl)methyl]piperazine

C21H26N2O — CID 171295550

IUPAC1-[(R)-cyclopropyl-(2-phenylmethoxyphenyl)methyl]piperazine
SMILESc1ccc(COc2ccccc2[C@@H](C2CC2)N2CCNCC2)cc1
InChIInChI=1S/C21H26N2O/c1-2-6-17(7-3-1)16-24-20-9-5-4-8-19(20)21(18-10-11-18)23-14-12-22-13-15-23/h1-9,18,21-22H,10-16H2/t21-/m1/s1
InChIKeyKUOISJRYVGIPIE-OAQYLSRUSA-N
MW322.45 g/mol
LogP3.62
Rot. Bonds6

About 1-[(R)-cyclopropyl-(2-phenylmethoxyphenyl)methyl]piperazine

1-[(R)-cyclopropyl-(2-phenylmethoxyphenyl)methyl]piperazine (PubChem CID 171295550) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-[(R)-cyclopropyl-(2-phenylmethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-cyclopropyl-(2-phenylmethoxyphenyl)methyl]piperazine
PubChem CID171295550
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name1-[(R)-cyclopropyl-(2-phenylmethoxyphenyl)methyl]piperazine
SMILESc1ccc(COc2ccccc2[C@@H](C2CC2)N2CCNCC2)cc1
InChIInChI=1S/C21H26N2O/c1-2-6-17(7-3-1)16-24-20-9-5-4-8-19(20)21(18-10-11-18)23-14-12-22-13-15-23/h1-9,18,21-22H,10-16H2/t21-/m1/s1
InChIKeyKUOISJRYVGIPIE-OAQYLSRUSA-N
XLogP3.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(R)-cyclopentyl-(2-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171288190
1-[(S)-cyclopropyl-(3-phenylmethoxyphenyl)methyl]piperazine
CID 171281179
1-[(4-fluorophenyl)-(2-phenylmethoxyphenyl)methyl]piperazine
CID 3558640
1-[(1R)-3,3,3-trifluoro-1-(2-phenylmethoxyphenyl)propyl]piperazine
CID 171172743
1-[(1R)-1-(2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride
CID 171295565
1-[(S)-cyclobutyl-[2-(difluoromethoxy)phenyl]methyl]piperazine
CID 171180855
2-[(S)-cyclopentyl(piperazin-1-yl)methyl]-5-phenylmethoxyphenol;dihydrochloride
CID 171283049
1-[(S)-cyclopentyl-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171280609
1-[(S)-cyclopropyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171279601
1-[(2,3-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine
CID 3890926
2-[(S)-cyclopropyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171274651
1-[(S)-[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine
CID 171281259

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopropyl-(2-phenylmethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(R)-cyclopropyl-(2-phenylmethoxyphenyl)methyl]piperazine (CID 171295550) is 1-[(R)-cyclopropyl-(2-phenylmethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(R)-cyclopropyl-(2-phenylmethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(R)-cyclopropyl-(2-phenylmethoxyphenyl)methyl]piperazine is c1ccc(COc2ccccc2[C@@H](C2CC2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(R)-cyclopropyl-(2-phenylmethoxyphenyl)methyl]piperazine?
The InChIKey is KUOISJRYVGIPIE-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H26N2O/c1-2-6-17(7-3-1)16-24-20-9-5-4-8-19(20)21(18-10-11-18)23-14-12-22-13-15-23/h1-9,18,21-22H,10-16H2/t21-/m1/s1.
What are the key properties of 1-[(R)-cyclopropyl-(2-phenylmethoxyphenyl)methyl]piperazine?
1-[(R)-cyclopropyl-(2-phenylmethoxyphenyl)methyl]piperazine has a molecular weight of 322.45 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopropyl-(2-phenylmethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 171295550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).