(2R)-2-(2,3,6-trichlorophenyl)piperazine;hydrochloride

C10H12Cl4N2 — CID 171194627

IUPAC(2R)-2-(2,3,6-trichlorophenyl)piperazine;hydrochloride
SMILESCl.Clc1ccc(Cl)c([C@@H]2CNCCN2)c1Cl
InChIInChI=1S/C10H11Cl3N2.ClH/c11-6-1-2-7(12)10(13)9(6)8-5-14-3-4-15-8;/h1-2,8,14-15H,3-5H2;1H/t8-;/m0./s1
InChIKeyOICMQMVZXNMGMN-QRPNPIFTSA-N
MW302.03 g/mol
LogP3.30
Rot. Bonds1

About (2R)-2-(2,3,6-trichlorophenyl)piperazine;hydrochloride

(2R)-2-(2,3,6-trichlorophenyl)piperazine;hydrochloride (PubChem CID 171194627) has the molecular formula C10H12Cl4N2 and a molecular weight of 302.03 g/mol. Its IUPAC name is (2R)-2-(2,3,6-trichlorophenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(2,3,6-trichlorophenyl)piperazine;hydrochloride
PubChem CID171194627
Molecular FormulaC10H12Cl4N2
Molecular Weight302.03 g/mol
Exact Mass299.98
IUPAC Name(2R)-2-(2,3,6-trichlorophenyl)piperazine;hydrochloride
SMILESCl.Clc1ccc(Cl)c([C@@H]2CNCCN2)c1Cl
InChIInChI=1S/C10H11Cl3N2.ClH/c11-6-1-2-7(12)10(13)9(6)8-5-14-3-4-15-8;/h1-2,8,14-15H,3-5H2;1H/t8-;/m0./s1
InChIKeyOICMQMVZXNMGMN-QRPNPIFTSA-N
XLogP3.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.03
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2,3,6-trichlorophenyl)piperazine
CID 171194626
(2R)-2-(3,6-dichloro-2-fluorophenyl)piperazine
CID 171194726
(2R)-2-(2,3,6-trichlorophenyl)pyrrolidine;hydrochloride
CID 171196089
3-chloro-6-fluoro-2-[(2S)-piperazin-2-yl]phenol
CID 171259613
(2S)-2-(2,3,6-trichlorophenyl)pyrrolidine
CID 130622124
(2S)-2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 171193868
(2R)-2-(2,3,4,5,6-pentafluorophenyl)piperazine;hydrochloride
CID 171194542
(2R)-2-(3-chlorothiophen-2-yl)piperazine;hydrochloride
CID 171193674
2-chloro-6-[(2R)-piperazin-2-yl]phenol;hydrochloride
CID 171194348
2,6-dichloro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride
CID 171193729
(2S)-2-(2-chloro-4-iodo-3-pyridinyl)piperazine
CID 131128323
(3R)-3-(2,3-dichloro-6-fluorophenyl)morpholine;hydrochloride
CID 171192935

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3,6-trichlorophenyl)piperazine;hydrochloride?
The IUPAC name of (2R)-2-(2,3,6-trichlorophenyl)piperazine;hydrochloride (CID 171194627) is (2R)-2-(2,3,6-trichlorophenyl)piperazine;hydrochloride.
What is the SMILES notation for (2R)-2-(2,3,6-trichlorophenyl)piperazine;hydrochloride?
The canonical SMILES for (2R)-2-(2,3,6-trichlorophenyl)piperazine;hydrochloride is Cl.Clc1ccc(Cl)c([C@@H]2CNCCN2)c1Cl.
What is the InChIKey of (2R)-2-(2,3,6-trichlorophenyl)piperazine;hydrochloride?
The InChIKey is OICMQMVZXNMGMN-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H11Cl3N2.ClH/c11-6-1-2-7(12)10(13)9(6)8-5-14-3-4-15-8;/h1-2,8,14-15H,3-5H2;1H/t8-;/m0./s1.
What are the key properties of (2R)-2-(2,3,6-trichlorophenyl)piperazine;hydrochloride?
(2R)-2-(2,3,6-trichlorophenyl)piperazine;hydrochloride has a molecular weight of 302.03 g/mol, XLogP of 3.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3,6-trichlorophenyl)piperazine;hydrochloride is sourced from PubChem (CID 171194627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).