1-[(1R)-1-(5-ethylthiophen-2-yl)-4-methylpentyl]piperazine;dihydrochloride

C16H30Cl2N2S — CID 171311160

IUPAC1-[(1R)-1-(5-ethylthiophen-2-yl)-4-methylpentyl]piperazine;dihydrochloride
SMILESCCc1ccc([C@@H](CCC(C)C)N2CCNCC2)s1.Cl.Cl
InChIInChI=1S/C16H28N2S.2ClH/c1-4-14-6-8-16(19-14)15(7-5-13(2)3)18-11-9-17-10-12-18;;/h6,8,13,15,17H,4-5,7,9-12H2,1-3H3;2*1H/t15-;;/m1../s1
InChIKeySMHBADUEPYBMQK-QCUBGVIVSA-N
MW353.40 g/mol
LogP4.54
Rot. Bonds6

About 1-[(1R)-1-(5-ethylthiophen-2-yl)-4-methylpentyl]piperazine;dihydrochloride

1-[(1R)-1-(5-ethylthiophen-2-yl)-4-methylpentyl]piperazine;dihydrochloride (PubChem CID 171311160) has the molecular formula C16H30Cl2N2S and a molecular weight of 353.40 g/mol. Its IUPAC name is 1-[(1R)-1-(5-ethylthiophen-2-yl)-4-methylpentyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(5-ethylthiophen-2-yl)-4-methylpentyl]piperazine;dihydrochloride
PubChem CID171311160
Molecular FormulaC16H30Cl2N2S
Molecular Weight353.40 g/mol
Exact Mass352.15
IUPAC Name1-[(1R)-1-(5-ethylthiophen-2-yl)-4-methylpentyl]piperazine;dihydrochloride
SMILESCCc1ccc([C@@H](CCC(C)C)N2CCNCC2)s1.Cl.Cl
InChIInChI=1S/C16H28N2S.2ClH/c1-4-14-6-8-16(19-14)15(7-5-13(2)3)18-11-9-17-10-12-18;;/h6,8,13,15,17H,4-5,7,9-12H2,1-3H3;2*1H/t15-;;/m1../s1
InChIKeySMHBADUEPYBMQK-QCUBGVIVSA-N
XLogP4.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(5-ethylthiophen-2-yl)-3-methylbutyl]piperazine;dihydrochloride
CID 171281368
1-[(1S)-1-(5-ethylthiophen-2-yl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171302999
1-[(1R)-2-cyclopropyl-1-(5-ethylthiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171293988
1-[(1R)-4-methyl-1-thiophen-2-ylpentyl]piperazine
CID 171311169
1-[(1R)-1-(5-bromo-4-methylthiophen-2-yl)-4-methylpentyl]piperazine
CID 171310839
1-[1-(5-ethylthiophen-2-yl)-2-pyridin-2-ylethyl]piperazine
CID 4642854
1-[(S)-cyclohexyl-(5-ethylthiophen-2-yl)methyl]piperazine
CID 171281355
1-[(1S)-1-(4-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171309970
1-[(1R)-1-(5-chlorothiophen-2-yl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303413
1-[(1R)-1-(5-chlorothiophen-2-yl)pentyl]piperazine
CID 171307470
methyl 2-(5-ethylthiophen-2-yl)-2-piperazin-1-ylacetate
CID 62347366
1-[(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]piperazine
CID 3902292

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(5-ethylthiophen-2-yl)-4-methylpentyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(5-ethylthiophen-2-yl)-4-methylpentyl]piperazine;dihydrochloride (CID 171311160) is 1-[(1R)-1-(5-ethylthiophen-2-yl)-4-methylpentyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(5-ethylthiophen-2-yl)-4-methylpentyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(5-ethylthiophen-2-yl)-4-methylpentyl]piperazine;dihydrochloride is CCc1ccc([C@@H](CCC(C)C)N2CCNCC2)s1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(5-ethylthiophen-2-yl)-4-methylpentyl]piperazine;dihydrochloride?
The InChIKey is SMHBADUEPYBMQK-QCUBGVIVSA-N. The full InChI is InChI=1S/C16H28N2S.2ClH/c1-4-14-6-8-16(19-14)15(7-5-13(2)3)18-11-9-17-10-12-18;;/h6,8,13,15,17H,4-5,7,9-12H2,1-3H3;2*1H/t15-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(5-ethylthiophen-2-yl)-4-methylpentyl]piperazine;dihydrochloride?
1-[(1R)-1-(5-ethylthiophen-2-yl)-4-methylpentyl]piperazine;dihydrochloride has a molecular weight of 353.40 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(5-ethylthiophen-2-yl)-4-methylpentyl]piperazine;dihydrochloride is sourced from PubChem (CID 171311160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).