5-[(R)-cyclopropyl(piperazin-1-yl)methyl]benzene-1,3-diol;dihydrochloride

C14H22Cl2N2O2 — CID 171286479

IUPAC5-[(R)-cyclopropyl(piperazin-1-yl)methyl]benzene-1,3-diol;dihydrochloride
SMILESCl.Cl.Oc1cc(O)cc([C@@H](C2CC2)N2CCNCC2)c1
InChIInChI=1S/C14H20N2O2.2ClH/c17-12-7-11(8-13(18)9-12)14(10-1-2-10)16-5-3-15-4-6-16;;/h7-10,14-15,17-18H,1-6H2;2*1H/t14-;;/m1../s1
InChIKeyRGEHTEXMALXNQB-FMOMHUKBSA-N
MW321.25 g/mol
LogP2.30
Rot. Bonds3

About 5-[(R)-cyclopropyl(piperazin-1-yl)methyl]benzene-1,3-diol;dihydrochloride

5-[(R)-cyclopropyl(piperazin-1-yl)methyl]benzene-1,3-diol;dihydrochloride (PubChem CID 171286479) has the molecular formula C14H22Cl2N2O2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 5-[(R)-cyclopropyl(piperazin-1-yl)methyl]benzene-1,3-diol;dihydrochloride.

Molecular Properties

Compound Name5-[(R)-cyclopropyl(piperazin-1-yl)methyl]benzene-1,3-diol;dihydrochloride
PubChem CID171286479
Molecular FormulaC14H22Cl2N2O2
Molecular Weight321.25 g/mol
Exact Mass320.11
IUPAC Name5-[(R)-cyclopropyl(piperazin-1-yl)methyl]benzene-1,3-diol;dihydrochloride
SMILESCl.Cl.Oc1cc(O)cc([C@@H](C2CC2)N2CCNCC2)c1
InChIInChI=1S/C14H20N2O2.2ClH/c17-12-7-11(8-13(18)9-12)14(10-1-2-10)16-5-3-15-4-6-16;;/h7-10,14-15,17-18H,1-6H2;2*1H/t14-;;/m1../s1
InChIKeyRGEHTEXMALXNQB-FMOMHUKBSA-N
XLogP2.30
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2,6-diiodophenol
CID 171283871
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171285185
3-[(S)-oxan-4-yl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171272818
5-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,3-diol;dihydrochloride
CID 171273867
4-[(R)-cyclobutyl(piperazin-1-yl)methyl]phenol
CID 171285182
2-[(S)-cyclopentyl(piperazin-1-yl)methyl]benzene-1,3,5-triol
CID 171284672
4-[(R)-cyclohexyl(piperazin-1-yl)methyl]-2,6-dimethylphenol
CID 171290267
1-[(S)-(3-chloro-5-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride
CID 171277324
2,6-ditert-butyl-4-[(S)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171272270
1-[(R)-cyclopropyl-(4-propan-2-ylphenyl)methyl]piperazine;dihydrochloride
CID 171286878
2,6-ditert-butyl-4-[(S)-cyclohexyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171272272
1-[(R)-(4-bromo-3,5-dimethoxyphenyl)-cyclopropylmethyl]piperazine;dihydrochloride
CID 171288222

Frequently Asked Questions

What is the IUPAC name of 5-[(R)-cyclopropyl(piperazin-1-yl)methyl]benzene-1,3-diol;dihydrochloride?
The IUPAC name of 5-[(R)-cyclopropyl(piperazin-1-yl)methyl]benzene-1,3-diol;dihydrochloride (CID 171286479) is 5-[(R)-cyclopropyl(piperazin-1-yl)methyl]benzene-1,3-diol;dihydrochloride.
What is the SMILES notation for 5-[(R)-cyclopropyl(piperazin-1-yl)methyl]benzene-1,3-diol;dihydrochloride?
The canonical SMILES for 5-[(R)-cyclopropyl(piperazin-1-yl)methyl]benzene-1,3-diol;dihydrochloride is Cl.Cl.Oc1cc(O)cc([C@@H](C2CC2)N2CCNCC2)c1.
What is the InChIKey of 5-[(R)-cyclopropyl(piperazin-1-yl)methyl]benzene-1,3-diol;dihydrochloride?
The InChIKey is RGEHTEXMALXNQB-FMOMHUKBSA-N. The full InChI is InChI=1S/C14H20N2O2.2ClH/c17-12-7-11(8-13(18)9-12)14(10-1-2-10)16-5-3-15-4-6-16;;/h7-10,14-15,17-18H,1-6H2;2*1H/t14-;;/m1../s1.
What are the key properties of 5-[(R)-cyclopropyl(piperazin-1-yl)methyl]benzene-1,3-diol;dihydrochloride?
5-[(R)-cyclopropyl(piperazin-1-yl)methyl]benzene-1,3-diol;dihydrochloride has a molecular weight of 321.25 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(R)-cyclopropyl(piperazin-1-yl)methyl]benzene-1,3-diol;dihydrochloride is sourced from PubChem (CID 171286479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).