1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethylphenyl)ethyl]piperazine;dihydrochloride

C18H30Cl2N2 — CID 171277972

IUPAC1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethylphenyl)ethyl]piperazine;dihydrochloride
SMILESCc1cc(C)c([C@H](CC2CC2)N2CCNCC2)c(C)c1.Cl.Cl
InChIInChI=1S/C18H28N2.2ClH/c1-13-10-14(2)18(15(3)11-13)17(12-16-4-5-16)20-8-6-19-7-9-20;;/h10-11,16-17,19H,4-9,12H2,1-3H3;2*1H/t17-;;/m0../s1
InChIKeyYRRJEWQWJBSTRX-RMRYJAPISA-N
MW345.36 g/mol
LogP4.20
Rot. Bonds4

About 1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethylphenyl)ethyl]piperazine;dihydrochloride

1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethylphenyl)ethyl]piperazine;dihydrochloride (PubChem CID 171277972) has the molecular formula C18H30Cl2N2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethylphenyl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethylphenyl)ethyl]piperazine;dihydrochloride
PubChem CID171277972
Molecular FormulaC18H30Cl2N2
Molecular Weight345.36 g/mol
Exact Mass344.18
IUPAC Name1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethylphenyl)ethyl]piperazine;dihydrochloride
SMILESCc1cc(C)c([C@H](CC2CC2)N2CCNCC2)c(C)c1.Cl.Cl
InChIInChI=1S/C18H28N2.2ClH/c1-13-10-14(2)18(15(3)11-13)17(12-16-4-5-16)20-8-6-19-7-9-20;;/h10-11,16-17,19H,4-9,12H2,1-3H3;2*1H/t17-;;/m0../s1
InChIKeyYRRJEWQWJBSTRX-RMRYJAPISA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3,5-dimethylphenol;dihydrochloride
CID 171272960
1-[(1S)-2-fluoro-1-(2,4,6-trimethylphenyl)ethyl]piperazine;hydrochloride
CID 171181928
1-[(1R)-4-methyl-1-(2,4,6-trimethylphenyl)pentyl]piperazine;dihydrochloride
CID 171310942
1-[(1R)-2-cyclopropyl-1-(2,4,6-trifluorophenyl)ethyl]piperazine;hydrochloride
CID 171169982
1-[(1R)-1-(2,4,6-trimethylphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171290601
1-[(1S)-1-(2-chloro-6-fluoro-3-methylphenyl)-2-cyclopropylethyl]piperazine;dihydrochloride
CID 171280216
2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-6-fluoro-4-methylphenol;dihydrochloride
CID 171300705
1-[(1R)-2-cyclopropyl-1-(2,4,6-trifluorophenyl)ethyl]piperazine
CID 171169981
2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,3,5-triol
CID 171284684
1-[(S)-cyclopentyl-(2,4,6-trimethylphenyl)methyl]piperazine;dihydrochloride
CID 171277961
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol;dihydrochloride
CID 171278888
2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-4-methylphenol;dihydrochloride
CID 171288275

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethylphenyl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethylphenyl)ethyl]piperazine;dihydrochloride (CID 171277972) is 1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethylphenyl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethylphenyl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethylphenyl)ethyl]piperazine;dihydrochloride is Cc1cc(C)c([C@H](CC2CC2)N2CCNCC2)c(C)c1.Cl.Cl.
What is the InChIKey of 1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethylphenyl)ethyl]piperazine;dihydrochloride?
The InChIKey is YRRJEWQWJBSTRX-RMRYJAPISA-N. The full InChI is InChI=1S/C18H28N2.2ClH/c1-13-10-14(2)18(15(3)11-13)17(12-16-4-5-16)20-8-6-19-7-9-20;;/h10-11,16-17,19H,4-9,12H2,1-3H3;2*1H/t17-;;/m0../s1.
What are the key properties of 1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethylphenyl)ethyl]piperazine;dihydrochloride?
1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethylphenyl)ethyl]piperazine;dihydrochloride has a molecular weight of 345.36 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethylphenyl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171277972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).