5-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,3-diol;dihydrochloride

C15H24Cl2N2O2 — CID 171273867

IUPAC5-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,3-diol;dihydrochloride
SMILESCl.Cl.Oc1cc(O)cc([C@H](CC2CC2)N2CCNCC2)c1
InChIInChI=1S/C15H22N2O2.2ClH/c18-13-8-12(9-14(19)10-13)15(7-11-1-2-11)17-5-3-16-4-6-17;;/h8-11,15-16,18-19H,1-7H2;2*1H/t15-;;/m0../s1
InChIKeySZMQQOCSTFIWPW-CKUXDGONSA-N
MW335.28 g/mol
LogP2.69
Rot. Bonds4

About 5-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,3-diol;dihydrochloride

5-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,3-diol;dihydrochloride (PubChem CID 171273867) has the molecular formula C15H24Cl2N2O2 and a molecular weight of 335.28 g/mol. Its IUPAC name is 5-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,3-diol;dihydrochloride.

Molecular Properties

Compound Name5-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,3-diol;dihydrochloride
PubChem CID171273867
Molecular FormulaC15H24Cl2N2O2
Molecular Weight335.28 g/mol
Exact Mass334.12
IUPAC Name5-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,3-diol;dihydrochloride
SMILESCl.Cl.Oc1cc(O)cc([C@H](CC2CC2)N2CCNCC2)c1
InChIInChI=1S/C15H22N2O2.2ClH/c18-13-8-12(9-14(19)10-13)15(7-11-1-2-11)17-5-3-16-4-6-17;;/h8-11,15-16,18-19H,1-7H2;2*1H/t15-;;/m0../s1
InChIKeySZMQQOCSTFIWPW-CKUXDGONSA-N
XLogP2.69
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-2,6-diiodophenol;dihydrochloride
CID 171283888
4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171285197
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3,5-dimethylphenol;dihydrochloride
CID 171272960
2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,3,5-triol
CID 171284684
5-[(1R)-3,3-difluoro-1-piperazin-1-ylpropyl]benzene-1,3-diol;hydrochloride
CID 171175199
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol;dihydrochloride
CID 171278888
5-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]benzene-1,3-diol;hydrochloride
CID 171168463
1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171288682
5-[(1S)-1-piperazin-1-ylbutyl]benzene-1,3-diol;dihydrochloride
CID 171273865
1-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171273249
5-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,3-diol
CID 171189029
5-[(R)-cyclopropyl(piperazin-1-yl)methyl]benzene-1,3-diol;dihydrochloride
CID 171286479

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,3-diol;dihydrochloride?
The IUPAC name of 5-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,3-diol;dihydrochloride (CID 171273867) is 5-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,3-diol;dihydrochloride.
What is the SMILES notation for 5-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,3-diol;dihydrochloride?
The canonical SMILES for 5-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,3-diol;dihydrochloride is Cl.Cl.Oc1cc(O)cc([C@H](CC2CC2)N2CCNCC2)c1.
What is the InChIKey of 5-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,3-diol;dihydrochloride?
The InChIKey is SZMQQOCSTFIWPW-CKUXDGONSA-N. The full InChI is InChI=1S/C15H22N2O2.2ClH/c18-13-8-12(9-14(19)10-13)15(7-11-1-2-11)17-5-3-16-4-6-17;;/h8-11,15-16,18-19H,1-7H2;2*1H/t15-;;/m0../s1.
What are the key properties of 5-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,3-diol;dihydrochloride?
5-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,3-diol;dihydrochloride has a molecular weight of 335.28 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,3-diol;dihydrochloride is sourced from PubChem (CID 171273867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).