2,4-dichloro-6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol

C15H16Cl2N2OS — CID 171272195

IUPAC2,4-dichloro-6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1[C@H](c1cccs1)N1CCNCC1
InChIInChI=1S/C15H16Cl2N2OS/c16-10-8-11(15(20)12(17)9-10)14(13-2-1-7-21-13)19-5-3-18-4-6-19/h1-2,7-9,14,18,20H,3-6H2/t14-/m1/s1
InChIKeyHWKZGQPDZNMGCU-CQSZACIVSA-N
MW343.28 g/mol
LogP3.76
Rot. Bonds3

About 2,4-dichloro-6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol

2,4-dichloro-6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol (PubChem CID 171272195) has the molecular formula C15H16Cl2N2OS and a molecular weight of 343.28 g/mol. Its IUPAC name is 2,4-dichloro-6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
PubChem CID171272195
Molecular FormulaC15H16Cl2N2OS
Molecular Weight343.28 g/mol
Exact Mass342.04
IUPAC Name2,4-dichloro-6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1[C@H](c1cccs1)N1CCNCC1
InChIInChI=1S/C15H16Cl2N2OS/c16-10-8-11(15(20)12(17)9-10)14(13-2-1-7-21-13)19-5-3-18-4-6-19/h1-2,7-9,14,18,20H,3-6H2/t14-/m1/s1
InChIKeyHWKZGQPDZNMGCU-CQSZACIVSA-N
XLogP3.76
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethyl]piperazine
CID 171288405
6-chloro-3-fluoro-2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171302056
4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]benzene-1,2,3-triol
CID 171286810
1-[(R)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine;hydrochloride
CID 171180423
2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
CID 171287287
1-[(R)-(2-chloro-4-fluorophenyl)-thiophen-2-ylmethyl]piperazine;hydrochloride
CID 171179722
1-[(R)-(2-chloro-4-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171277028
2-chloro-6-methoxy-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
CID 171296198
5-methyl-2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171294370
3-fluoro-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171175142
1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171281575
2-amino-3-fluoro-6-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
CID 171300977

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol (CID 171272195) is 2,4-dichloro-6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol is Oc1c(Cl)cc(Cl)cc1[C@H](c1cccs1)N1CCNCC1.
What is the InChIKey of 2,4-dichloro-6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol?
The InChIKey is HWKZGQPDZNMGCU-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16Cl2N2OS/c16-10-8-11(15(20)12(17)9-10)14(13-2-1-7-21-13)19-5-3-18-4-6-19/h1-2,7-9,14,18,20H,3-6H2/t14-/m1/s1.
What are the key properties of 2,4-dichloro-6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol?
2,4-dichloro-6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol has a molecular weight of 343.28 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol is sourced from PubChem (CID 171272195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).