(2R,5S)-1-[bis(4-chlorophenyl)methyl]-2-ethyl-5-methylpiperazine;hydrochloride

C20H25Cl3N2 — CID 170433659

IUPAC(2R,5S)-1-[bis(4-chlorophenyl)methyl]-2-ethyl-5-methylpiperazine;hydrochloride
SMILESCC[C@@H]1CN[C@@H](C)CN1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C20H24Cl2N2.ClH/c1-3-19-12-23-14(2)13-24(19)20(15-4-8-17(21)9-5-15)16-6-10-18(22)11-7-16;/h4-11,14,19-20,23H,3,12-13H2,1-2H3;1H/t14-,19+;/m0./s1
InChIKeyGQPFBMRVXIDTIU-OWRLQCHVSA-N
MW399.79 g/mol
LogP5.58
Rot. Bonds4

About (2R,5S)-1-[bis(4-chlorophenyl)methyl]-2-ethyl-5-methylpiperazine;hydrochloride

(2R,5S)-1-[bis(4-chlorophenyl)methyl]-2-ethyl-5-methylpiperazine;hydrochloride (PubChem CID 170433659) has the molecular formula C20H25Cl3N2 and a molecular weight of 399.79 g/mol. Its IUPAC name is (2R,5S)-1-[bis(4-chlorophenyl)methyl]-2-ethyl-5-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name(2R,5S)-1-[bis(4-chlorophenyl)methyl]-2-ethyl-5-methylpiperazine;hydrochloride
PubChem CID170433659
Molecular FormulaC20H25Cl3N2
Molecular Weight399.79 g/mol
Exact Mass398.11
IUPAC Name(2R,5S)-1-[bis(4-chlorophenyl)methyl]-2-ethyl-5-methylpiperazine;hydrochloride
SMILESCC[C@@H]1CN[C@@H](C)CN1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C20H24Cl2N2.ClH/c1-3-19-12-23-14(2)13-24(19)20(15-4-8-17(21)9-5-15)16-6-10-18(22)11-7-16;/h4-11,14,19-20,23H,3,12-13H2,1-2H3;1H/t14-,19+;/m0./s1
InChIKeyGQPFBMRVXIDTIU-OWRLQCHVSA-N
XLogP5.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.79
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(2R,5S)-2-ethyl-5-methylpiperazin-1-yl]-(4-fluorophenyl)methyl]benzonitrile;hydrochloride
CID 170433814
(2S,5S)-2-ethyl-5-methyl-1-propan-2-ylpiperazine
CID 96769528
4-[(4-fluorophenyl)-[(2S,5S)-2-(methoxymethyl)-5-methylpiperazin-1-yl]methyl]benzonitrile
CID 146466366
2-ethyl-5-methyl-1-(5-methylhexan-2-yl)piperazine
CID 64938399
1-(1-cyclohexylethyl)-2-ethyl-5-methylpiperazine
CID 64937210
1-[bis(4-chlorophenyl)methyl]-3-methylpiperazine;methanol
CID 170615369
1-[1-(4-chlorophenyl)ethyl]-2-ethyl-5,5-dimethylpiperazine
CID 64948195
1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-amine
CID 69448819
1-[1-(4-chlorophenyl)ethyl]-3-methylpiperazine
CID 64925953
1-[1-(4-chlorophenyl)propyl]-3-methylpiperazine
CID 65418511
2-[1-(2-ethyl-5-methylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole
CID 114182571
1-[1-(2,4-dichlorophenyl)ethyl]-2,5-diethylpiperazine
CID 64934081

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-1-[bis(4-chlorophenyl)methyl]-2-ethyl-5-methylpiperazine;hydrochloride?
The IUPAC name of (2R,5S)-1-[bis(4-chlorophenyl)methyl]-2-ethyl-5-methylpiperazine;hydrochloride (CID 170433659) is (2R,5S)-1-[bis(4-chlorophenyl)methyl]-2-ethyl-5-methylpiperazine;hydrochloride.
What is the SMILES notation for (2R,5S)-1-[bis(4-chlorophenyl)methyl]-2-ethyl-5-methylpiperazine;hydrochloride?
The canonical SMILES for (2R,5S)-1-[bis(4-chlorophenyl)methyl]-2-ethyl-5-methylpiperazine;hydrochloride is CC[C@@H]1CN[C@@H](C)CN1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.Cl.
What is the InChIKey of (2R,5S)-1-[bis(4-chlorophenyl)methyl]-2-ethyl-5-methylpiperazine;hydrochloride?
The InChIKey is GQPFBMRVXIDTIU-OWRLQCHVSA-N. The full InChI is InChI=1S/C20H24Cl2N2.ClH/c1-3-19-12-23-14(2)13-24(19)20(15-4-8-17(21)9-5-15)16-6-10-18(22)11-7-16;/h4-11,14,19-20,23H,3,12-13H2,1-2H3;1H/t14-,19+;/m0./s1.
What are the key properties of (2R,5S)-1-[bis(4-chlorophenyl)methyl]-2-ethyl-5-methylpiperazine;hydrochloride?
(2R,5S)-1-[bis(4-chlorophenyl)methyl]-2-ethyl-5-methylpiperazine;hydrochloride has a molecular weight of 399.79 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-1-[bis(4-chlorophenyl)methyl]-2-ethyl-5-methylpiperazine;hydrochloride is sourced from PubChem (CID 170433659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).