(2R,6S)-1-[(4-chlorothiophen-2-yl)methyl]-2,6-dimethylpiperazine;hydrochloride

C11H18Cl2N2S — CID 120844690

IUPAC(2R,6S)-1-[(4-chlorothiophen-2-yl)methyl]-2,6-dimethylpiperazine;hydrochloride
SMILESC[C@@H]1CNC[C@H](C)N1Cc1cc(Cl)cs1.Cl
InChIInChI=1S/C11H17ClN2S.ClH/c1-8-4-13-5-9(2)14(8)6-11-3-10(12)7-15-11;/h3,7-9,13H,4-6H2,1-2H3;1H/t8-,9+;
InChIKeyDKFOQXVZYKKGQQ-UFIFRZAQSA-N
MW281.25 g/mol
LogP3.01
Rot. Bonds2

About (2R,6S)-1-[(4-chlorothiophen-2-yl)methyl]-2,6-dimethylpiperazine;hydrochloride

(2R,6S)-1-[(4-chlorothiophen-2-yl)methyl]-2,6-dimethylpiperazine;hydrochloride (PubChem CID 120844690) has the molecular formula C11H18Cl2N2S and a molecular weight of 281.25 g/mol. Its IUPAC name is (2R,6S)-1-[(4-chlorothiophen-2-yl)methyl]-2,6-dimethylpiperazine;hydrochloride.

Molecular Properties

Compound Name(2R,6S)-1-[(4-chlorothiophen-2-yl)methyl]-2,6-dimethylpiperazine;hydrochloride
PubChem CID120844690
Molecular FormulaC11H18Cl2N2S
Molecular Weight281.25 g/mol
Exact Mass280.06
IUPAC Name(2R,6S)-1-[(4-chlorothiophen-2-yl)methyl]-2,6-dimethylpiperazine;hydrochloride
SMILESC[C@@H]1CNC[C@H](C)N1Cc1cc(Cl)cs1.Cl
InChIInChI=1S/C11H17ClN2S.ClH/c1-8-4-13-5-9(2)14(8)6-11-3-10(12)7-15-11;/h3,7-9,13H,4-6H2,1-2H3;1H/t8-,9+;
InChIKeyDKFOQXVZYKKGQQ-UFIFRZAQSA-N
XLogP3.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-1-[(4-chlorothiophen-2-yl)methyl]-2,6-dimethylpiperazine;hydrochloride?
The IUPAC name of (2R,6S)-1-[(4-chlorothiophen-2-yl)methyl]-2,6-dimethylpiperazine;hydrochloride (CID 120844690) is (2R,6S)-1-[(4-chlorothiophen-2-yl)methyl]-2,6-dimethylpiperazine;hydrochloride.
What is the SMILES notation for (2R,6S)-1-[(4-chlorothiophen-2-yl)methyl]-2,6-dimethylpiperazine;hydrochloride?
The canonical SMILES for (2R,6S)-1-[(4-chlorothiophen-2-yl)methyl]-2,6-dimethylpiperazine;hydrochloride is C[C@@H]1CNC[C@H](C)N1Cc1cc(Cl)cs1.Cl.
What is the InChIKey of (2R,6S)-1-[(4-chlorothiophen-2-yl)methyl]-2,6-dimethylpiperazine;hydrochloride?
The InChIKey is DKFOQXVZYKKGQQ-UFIFRZAQSA-N. The full InChI is InChI=1S/C11H17ClN2S.ClH/c1-8-4-13-5-9(2)14(8)6-11-3-10(12)7-15-11;/h3,7-9,13H,4-6H2,1-2H3;1H/t8-,9+;.
What are the key properties of (2R,6S)-1-[(4-chlorothiophen-2-yl)methyl]-2,6-dimethylpiperazine;hydrochloride?
(2R,6S)-1-[(4-chlorothiophen-2-yl)methyl]-2,6-dimethylpiperazine;hydrochloride has a molecular weight of 281.25 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-1-[(4-chlorothiophen-2-yl)methyl]-2,6-dimethylpiperazine;hydrochloride is sourced from PubChem (CID 120844690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).