4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3,5-dimethylphenol;dihydrochloride

C17H28Cl2N2O — CID 171272960

IUPAC4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3,5-dimethylphenol;dihydrochloride
SMILESCc1cc(O)cc(C)c1[C@H](CC1CC1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H26N2O.2ClH/c1-12-9-15(20)10-13(2)17(12)16(11-14-3-4-14)19-7-5-18-6-8-19;;/h9-10,14,16,18,20H,3-8,11H2,1-2H3;2*1H/t16-;;/m0../s1
InChIKeyVLATYSNIPPHWFQ-SQKCAUCHSA-N
MW347.33 g/mol
LogP3.60
Rot. Bonds4

About 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3,5-dimethylphenol;dihydrochloride

4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3,5-dimethylphenol;dihydrochloride (PubChem CID 171272960) has the molecular formula C17H28Cl2N2O and a molecular weight of 347.33 g/mol. Its IUPAC name is 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3,5-dimethylphenol;dihydrochloride.

Molecular Properties

Compound Name4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3,5-dimethylphenol;dihydrochloride
PubChem CID171272960
Molecular FormulaC17H28Cl2N2O
Molecular Weight347.33 g/mol
Exact Mass346.16
IUPAC Name4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3,5-dimethylphenol;dihydrochloride
SMILESCc1cc(O)cc(C)c1[C@H](CC1CC1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H26N2O.2ClH/c1-12-9-15(20)10-13(2)17(12)16(11-14-3-4-14)19-7-5-18-6-8-19;;/h9-10,14,16,18,20H,3-8,11H2,1-2H3;2*1H/t16-;;/m0../s1
InChIKeyVLATYSNIPPHWFQ-SQKCAUCHSA-N
XLogP3.60
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3,5-dimethylphenol;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethylphenyl)ethyl]piperazine;dihydrochloride
CID 171277972
2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,3,5-triol
CID 171284684
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol;dihydrochloride
CID 171278888
5-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,3-diol;dihydrochloride
CID 171273867
3,5-dimethyl-4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenol
CID 171285589
3,5-dimethyl-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol;dihydrochloride
CID 171285570
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
2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-4-methylphenol;dihydrochloride
CID 171288275
2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3,4,5-trifluorophenol;dihydrochloride
CID 171298785
1-[(1R)-2-cyclopropyl-1-(2,4,6-trifluorophenyl)ethyl]piperazine;hydrochloride
CID 171169982
3,5-dimethyl-4-[(S)-oxan-4-yl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171272954

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3,5-dimethylphenol;dihydrochloride?
The IUPAC name of 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3,5-dimethylphenol;dihydrochloride (CID 171272960) is 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3,5-dimethylphenol;dihydrochloride.
What is the SMILES notation for 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3,5-dimethylphenol;dihydrochloride?
The canonical SMILES for 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3,5-dimethylphenol;dihydrochloride is Cc1cc(O)cc(C)c1[C@H](CC1CC1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3,5-dimethylphenol;dihydrochloride?
The InChIKey is VLATYSNIPPHWFQ-SQKCAUCHSA-N. The full InChI is InChI=1S/C17H26N2O.2ClH/c1-12-9-15(20)10-13(2)17(12)16(11-14-3-4-14)19-7-5-18-6-8-19;;/h9-10,14,16,18,20H,3-8,11H2,1-2H3;2*1H/t16-;;/m0../s1.
What are the key properties of 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3,5-dimethylphenol;dihydrochloride?
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3,5-dimethylphenol;dihydrochloride has a molecular weight of 347.33 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3,5-dimethylphenol;dihydrochloride is sourced from PubChem (CID 171272960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).