1-[(S)-cyclopropyl-(3-phenylmethoxyphenyl)methyl]piperazine

C21H26N2O — CID 171281179

IUPAC1-[(S)-cyclopropyl-(3-phenylmethoxyphenyl)methyl]piperazine
SMILESc1ccc(COc2cccc([C@H](C3CC3)N3CCNCC3)c2)cc1
InChIInChI=1S/C21H26N2O/c1-2-5-17(6-3-1)16-24-20-8-4-7-19(15-20)21(18-9-10-18)23-13-11-22-12-14-23/h1-8,15,18,21-22H,9-14,16H2/t21-/m0/s1
InChIKeyQSLVGVHEPFMHSI-NRFANRHFSA-N
MW322.45 g/mol
LogP3.62
Rot. Bonds6

About 1-[(S)-cyclopropyl-(3-phenylmethoxyphenyl)methyl]piperazine

1-[(S)-cyclopropyl-(3-phenylmethoxyphenyl)methyl]piperazine (PubChem CID 171281179) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-[(S)-cyclopropyl-(3-phenylmethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-cyclopropyl-(3-phenylmethoxyphenyl)methyl]piperazine
PubChem CID171281179
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name1-[(S)-cyclopropyl-(3-phenylmethoxyphenyl)methyl]piperazine
SMILESc1ccc(COc2cccc([C@H](C3CC3)N3CCNCC3)c2)cc1
InChIInChI=1S/C21H26N2O/c1-2-5-17(6-3-1)16-24-20-8-4-7-19(15-20)21(18-9-10-18)23-13-11-22-12-14-23/h1-8,15,18,21-22H,9-14,16H2/t21-/m0/s1
InChIKeyQSLVGVHEPFMHSI-NRFANRHFSA-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-[(S)-oxan-4-yl-(3-phenylmethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171281190
1-[(1R)-2,2-difluoro-1-(3-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171281175
1-[(S)-cyclopropyl-[3-(difluoromethoxy)phenyl]methyl]piperazine
CID 171278221
1-[(1R)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propyl]piperazine
CID 171293821
1-[(S)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine
CID 171277901
1-[(R)-cyclopropyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171286716
1-[(4-fluorophenyl)-(3-phenylmethoxyphenyl)methyl]piperazine
CID 4209262
1-[(R)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171290527
1-[(1R)-4,4,4-trifluoro-1-(3-phenylmethoxyphenyl)butyl]piperazine
CID 171172354
1-[(R)-cyclopropyl-(2-phenylmethoxyphenyl)methyl]piperazine
CID 171295550
2-[(S)-cyclopentyl(piperazin-1-yl)methyl]-5-phenylmethoxyphenol;dihydrochloride
CID 171283049
1-[(R)-oxan-4-yl-(3-phenoxyphenyl)methyl]piperazine
CID 171286975

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopropyl-(3-phenylmethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(S)-cyclopropyl-(3-phenylmethoxyphenyl)methyl]piperazine (CID 171281179) is 1-[(S)-cyclopropyl-(3-phenylmethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(S)-cyclopropyl-(3-phenylmethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(S)-cyclopropyl-(3-phenylmethoxyphenyl)methyl]piperazine is c1ccc(COc2cccc([C@H](C3CC3)N3CCNCC3)c2)cc1.
What is the InChIKey of 1-[(S)-cyclopropyl-(3-phenylmethoxyphenyl)methyl]piperazine?
The InChIKey is QSLVGVHEPFMHSI-NRFANRHFSA-N. The full InChI is InChI=1S/C21H26N2O/c1-2-5-17(6-3-1)16-24-20-8-4-7-19(15-20)21(18-9-10-18)23-13-11-22-12-14-23/h1-8,15,18,21-22H,9-14,16H2/t21-/m0/s1.
What are the key properties of 1-[(S)-cyclopropyl-(3-phenylmethoxyphenyl)methyl]piperazine?
1-[(S)-cyclopropyl-(3-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-[(S)-cyclopropyl-(3-phenylmethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 171281179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).