1-[(R)-(4-phenoxyphenyl)-thiophen-2-ylmethyl]piperazine

C21H22N2OS — CID 171279713

IUPAC1-[(R)-(4-phenoxyphenyl)-thiophen-2-ylmethyl]piperazine
SMILESc1ccc(Oc2ccc([C@H](c3cccs3)N3CCNCC3)cc2)cc1
InChIInChI=1S/C21H22N2OS/c1-2-5-18(6-3-1)24-19-10-8-17(9-11-19)21(20-7-4-16-25-20)23-14-12-22-13-15-23/h1-11,16,21-22H,12-15H2/t21-/m1/s1
InChIKeyPLDCTJPNZJPZSQ-OAQYLSRUSA-N
MW350.49 g/mol
LogP4.53
Rot. Bonds5

About 1-[(R)-(4-phenoxyphenyl)-thiophen-2-ylmethyl]piperazine

1-[(R)-(4-phenoxyphenyl)-thiophen-2-ylmethyl]piperazine (PubChem CID 171279713) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is 1-[(R)-(4-phenoxyphenyl)-thiophen-2-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(R)-(4-phenoxyphenyl)-thiophen-2-ylmethyl]piperazine
PubChem CID171279713
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Name1-[(R)-(4-phenoxyphenyl)-thiophen-2-ylmethyl]piperazine
SMILESc1ccc(Oc2ccc([C@H](c3cccs3)N3CCNCC3)cc2)cc1
InChIInChI=1S/C21H22N2OS/c1-2-5-18(6-3-1)24-19-10-8-17(9-11-19)21(20-7-4-16-25-20)23-14-12-22-13-15-23/h1-11,16,21-22H,12-15H2/t21-/m1/s1
InChIKeyPLDCTJPNZJPZSQ-OAQYLSRUSA-N
XLogP4.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(R)-(4-phenylphenyl)-thiophen-2-ylmethyl]piperazine
CID 171279536
1-[(S)-(4-ethoxyphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171287098
1-[(R)-(4-iodophenyl)-thiophen-2-ylmethyl]piperazine
CID 171276045
1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171281575
1-[(R)-thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171273194
N,N-dimethyl-4-[piperazin-1-yl(thiophen-2-yl)methyl]aniline
CID 4988870
1-[(4-chlorophenyl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 5096887
1-[(4-methoxyphenyl)-(3-phenoxyphenyl)methyl]piperazine
CID 3878375
1-[(S)-[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine
CID 171176360
1-[(R)-(4-methylsulfonylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171272709
1-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]piperazine;dihydrochloride
CID 171280742
1-[(R)-furan-3-yl(thiophen-2-yl)methyl]piperazine
CID 171281680

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(4-phenoxyphenyl)-thiophen-2-ylmethyl]piperazine?
The IUPAC name of 1-[(R)-(4-phenoxyphenyl)-thiophen-2-ylmethyl]piperazine (CID 171279713) is 1-[(R)-(4-phenoxyphenyl)-thiophen-2-ylmethyl]piperazine.
What is the SMILES notation for 1-[(R)-(4-phenoxyphenyl)-thiophen-2-ylmethyl]piperazine?
The canonical SMILES for 1-[(R)-(4-phenoxyphenyl)-thiophen-2-ylmethyl]piperazine is c1ccc(Oc2ccc([C@H](c3cccs3)N3CCNCC3)cc2)cc1.
What is the InChIKey of 1-[(R)-(4-phenoxyphenyl)-thiophen-2-ylmethyl]piperazine?
The InChIKey is PLDCTJPNZJPZSQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-2-5-18(6-3-1)24-19-10-8-17(9-11-19)21(20-7-4-16-25-20)23-14-12-22-13-15-23/h1-11,16,21-22H,12-15H2/t21-/m1/s1.
What are the key properties of 1-[(R)-(4-phenoxyphenyl)-thiophen-2-ylmethyl]piperazine?
1-[(R)-(4-phenoxyphenyl)-thiophen-2-ylmethyl]piperazine has a molecular weight of 350.49 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(4-phenoxyphenyl)-thiophen-2-ylmethyl]piperazine is sourced from PubChem (CID 171279713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).