3,5-dimethyl-4-[(1R)-1-piperazin-1-ylethyl]phenol

C14H22N2O — CID 171285559

IUPAC3,5-dimethyl-4-[(1R)-1-piperazin-1-ylethyl]phenol
SMILESCc1cc(O)cc(C)c1[C@@H](C)N1CCNCC1
InChIInChI=1S/C14H22N2O/c1-10-8-13(17)9-11(2)14(10)12(3)16-6-4-15-5-7-16/h8-9,12,15,17H,4-7H2,1-3H3/t12-/m1/s1
InChIKeyMISNILKTLCKCOD-GFCCVEGCSA-N
MW234.34 g/mol
LogP1.98
Rot. Bonds2

About 3,5-dimethyl-4-[(1R)-1-piperazin-1-ylethyl]phenol

3,5-dimethyl-4-[(1R)-1-piperazin-1-ylethyl]phenol (PubChem CID 171285559) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3,5-dimethyl-4-[(1R)-1-piperazin-1-ylethyl]phenol.

Molecular Properties

Compound Name3,5-dimethyl-4-[(1R)-1-piperazin-1-ylethyl]phenol
PubChem CID171285559
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3,5-dimethyl-4-[(1R)-1-piperazin-1-ylethyl]phenol
SMILESCc1cc(O)cc(C)c1[C@@H](C)N1CCNCC1
InChIInChI=1S/C14H22N2O/c1-10-8-13(17)9-11(2)14(10)12(3)16-6-4-15-5-7-16/h8-9,12,15,17H,4-7H2,1-3H3/t12-/m1/s1
InChIKeyMISNILKTLCKCOD-GFCCVEGCSA-N
XLogP1.98
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]piperazine
CID 93464451
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)-3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropyl]-3,5-dimethylphenol
CID 171189836
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3,5-dimethylphenol;dihydrochloride
CID 171272960
1-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine
CID 82498846
3-fluoro-6-methyl-2-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171300875
2,6-diiodo-4-[(1S)-1-piperazin-1-ylethyl]phenol
CID 171283859
3,5-dimethyl-4-[(S)-oxan-4-yl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171272954
2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82262989
3,6-difluoro-2-[(1R)-1-piperazin-1-ylethyl]phenol
CID 171300074
1-[(1R)-1-(2,6-dimethoxy-4-methylphenyl)ethyl]piperazine
CID 171296555

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[(1R)-1-piperazin-1-ylethyl]phenol?
The IUPAC name of 3,5-dimethyl-4-[(1R)-1-piperazin-1-ylethyl]phenol (CID 171285559) is 3,5-dimethyl-4-[(1R)-1-piperazin-1-ylethyl]phenol.
What is the SMILES notation for 3,5-dimethyl-4-[(1R)-1-piperazin-1-ylethyl]phenol?
The canonical SMILES for 3,5-dimethyl-4-[(1R)-1-piperazin-1-ylethyl]phenol is Cc1cc(O)cc(C)c1[C@@H](C)N1CCNCC1.
What is the InChIKey of 3,5-dimethyl-4-[(1R)-1-piperazin-1-ylethyl]phenol?
The InChIKey is MISNILKTLCKCOD-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-8-13(17)9-11(2)14(10)12(3)16-6-4-15-5-7-16/h8-9,12,15,17H,4-7H2,1-3H3/t12-/m1/s1.
What are the key properties of 3,5-dimethyl-4-[(1R)-1-piperazin-1-ylethyl]phenol?
3,5-dimethyl-4-[(1R)-1-piperazin-1-ylethyl]phenol has a molecular weight of 234.34 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[(1R)-1-piperazin-1-ylethyl]phenol is sourced from PubChem (CID 171285559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).