1-[(1S)-1-(3-chlorothiophen-2-yl)-2-cyclopropylethyl]piperazine;dihydrochloride

C13H21Cl3N2S — CID 171276249

IUPAC1-[(1S)-1-(3-chlorothiophen-2-yl)-2-cyclopropylethyl]piperazine;dihydrochloride
SMILESCl.Cl.Clc1ccsc1[C@H](CC1CC1)N1CCNCC1
InChIInChI=1S/C13H19ClN2S.2ClH/c14-11-3-8-17-13(11)12(9-10-1-2-10)16-6-4-15-5-7-16;;/h3,8,10,12,15H,1-2,4-7,9H2;2*1H/t12-;;/m0../s1
InChIKeyIWEARQCXJBNABN-LTCKWSDVSA-N
MW343.75 g/mol
LogP3.99
Rot. Bonds4

About 1-[(1S)-1-(3-chlorothiophen-2-yl)-2-cyclopropylethyl]piperazine;dihydrochloride

1-[(1S)-1-(3-chlorothiophen-2-yl)-2-cyclopropylethyl]piperazine;dihydrochloride (PubChem CID 171276249) has the molecular formula C13H21Cl3N2S and a molecular weight of 343.75 g/mol. Its IUPAC name is 1-[(1S)-1-(3-chlorothiophen-2-yl)-2-cyclopropylethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(3-chlorothiophen-2-yl)-2-cyclopropylethyl]piperazine;dihydrochloride
PubChem CID171276249
Molecular FormulaC13H21Cl3N2S
Molecular Weight343.75 g/mol
Exact Mass342.05
IUPAC Name1-[(1S)-1-(3-chlorothiophen-2-yl)-2-cyclopropylethyl]piperazine;dihydrochloride
SMILESCl.Cl.Clc1ccsc1[C@H](CC1CC1)N1CCNCC1
InChIInChI=1S/C13H19ClN2S.2ClH/c14-11-3-8-17-13(11)12(9-10-1-2-10)16-6-4-15-5-7-16;;/h3,8,10,12,15H,1-2,4-7,9H2;2*1H/t12-;;/m0../s1
InChIKeyIWEARQCXJBNABN-LTCKWSDVSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.75
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(3-chlorothiophen-2-yl)but-3-enyl]piperazine;dihydrochloride
CID 171288856
1-[(1R)-1-(3-chlorothiophen-2-yl)butyl]piperazine
CID 171288871
1-[(1S)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine;dihydrochloride
CID 171281527
1-[(R)-(3-chlorothiophen-2-yl)-cyclopropylmethyl]piperazine
CID 171288857
1-[(1R)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine
CID 171294145
1-[(S)-(3-chlorothiophen-2-yl)-cyclopentylmethyl]piperazine
CID 171276236
1-[(1R)-2-cyclopropyl-1-(2,6-dichlorophenyl)ethyl]piperazine
CID 171284986
1-[(1S)-2-cyclopropyl-1-(3,6-dichloro-2-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171283788
1-[(1S)-2-cyclopropyl-1-(2,4-dichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171281867
1-[(1R)-2-cyclopropyl-1-(2,3,5-trichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171295322
1-[(1S)-2-cyclopropyl-1-(2,3,5-trichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171282702
1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171288682

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3-chlorothiophen-2-yl)-2-cyclopropylethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(3-chlorothiophen-2-yl)-2-cyclopropylethyl]piperazine;dihydrochloride (CID 171276249) is 1-[(1S)-1-(3-chlorothiophen-2-yl)-2-cyclopropylethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(3-chlorothiophen-2-yl)-2-cyclopropylethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(3-chlorothiophen-2-yl)-2-cyclopropylethyl]piperazine;dihydrochloride is Cl.Cl.Clc1ccsc1[C@H](CC1CC1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(3-chlorothiophen-2-yl)-2-cyclopropylethyl]piperazine;dihydrochloride?
The InChIKey is IWEARQCXJBNABN-LTCKWSDVSA-N. The full InChI is InChI=1S/C13H19ClN2S.2ClH/c14-11-3-8-17-13(11)12(9-10-1-2-10)16-6-4-15-5-7-16;;/h3,8,10,12,15H,1-2,4-7,9H2;2*1H/t12-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(3-chlorothiophen-2-yl)-2-cyclopropylethyl]piperazine;dihydrochloride?
1-[(1S)-1-(3-chlorothiophen-2-yl)-2-cyclopropylethyl]piperazine;dihydrochloride has a molecular weight of 343.75 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3-chlorothiophen-2-yl)-2-cyclopropylethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171276249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).