4-chloro-3,5-dimethyl-2-(2-piperazin-1-ylethyl)phenol

C14H21ClN2O — CID 82265416

IUPAC4-chloro-3,5-dimethyl-2-(2-piperazin-1-ylethyl)phenol
SMILESCc1cc(O)c(CCN2CCNCC2)c(C)c1Cl
InChIInChI=1S/C14H21ClN2O/c1-10-9-13(18)12(11(2)14(10)15)3-6-17-7-4-16-5-8-17/h9,16,18H,3-8H2,1-2H3
InChIKeyMDMBUTRJPMCPFT-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.11
Rot. Bonds3

About 4-chloro-3,5-dimethyl-2-(2-piperazin-1-ylethyl)phenol

4-chloro-3,5-dimethyl-2-(2-piperazin-1-ylethyl)phenol (PubChem CID 82265416) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-chloro-3,5-dimethyl-2-(2-piperazin-1-ylethyl)phenol.

Molecular Properties

Compound Name4-chloro-3,5-dimethyl-2-(2-piperazin-1-ylethyl)phenol
PubChem CID82265416
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name4-chloro-3,5-dimethyl-2-(2-piperazin-1-ylethyl)phenol
SMILESCc1cc(O)c(CCN2CCNCC2)c(C)c1Cl
InChIInChI=1S/C14H21ClN2O/c1-10-9-13(18)12(11(2)14(10)15)3-6-17-7-4-16-5-8-17/h9,16,18H,3-8H2,1-2H3
InChIKeyMDMBUTRJPMCPFT-UHFFFAOYSA-N
XLogP2.11
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,5-trimethyl-4-(2-piperazin-1-ylethyl)phenol
CID 82266205
1-[2-(3-chloro-6-ethoxy-2,4-dimethylphenyl)ethyl]piperazine
CID 82265314
4-chloro-3-methyl-2-(2-piperazin-1-ylethyl)phenol
CID 117390237
4-chloro-3,5-dimethyl-2-(3-morpholin-4-ylpropyl)phenol
CID 170869854
1-[2-(2,4,6-trimethylphenyl)ethyl]piperazine
CID 15391878
6-bromo-3,4-dimethyl-2-(2-piperazin-1-ylethyl)phenol
CID 117498633
5-chloro-4,6-dimethyl-3-(2-piperazin-1-ylethyl)-1,2-benzoxazole
CID 39097785
2-chloro-3,5-dimethyl-6-(piperazin-1-ylmethyl)phenol
CID 117390249
6-chloro-5-(2-piperazin-1-ylethyl)-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117481309
4-methoxy-5-methyl-2-(2-piperazin-1-ylethyl)phenol
CID 117379682
3-chloro-4-methyl-2-(piperazin-1-ylmethyl)phenol
CID 84800713
2,3-dimethyl-6-(2-piperazin-1-ylethyl)phenol
CID 83896218

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,5-dimethyl-2-(2-piperazin-1-ylethyl)phenol?
The IUPAC name of 4-chloro-3,5-dimethyl-2-(2-piperazin-1-ylethyl)phenol (CID 82265416) is 4-chloro-3,5-dimethyl-2-(2-piperazin-1-ylethyl)phenol.
What is the SMILES notation for 4-chloro-3,5-dimethyl-2-(2-piperazin-1-ylethyl)phenol?
The canonical SMILES for 4-chloro-3,5-dimethyl-2-(2-piperazin-1-ylethyl)phenol is Cc1cc(O)c(CCN2CCNCC2)c(C)c1Cl.
What is the InChIKey of 4-chloro-3,5-dimethyl-2-(2-piperazin-1-ylethyl)phenol?
The InChIKey is MDMBUTRJPMCPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10-9-13(18)12(11(2)14(10)15)3-6-17-7-4-16-5-8-17/h9,16,18H,3-8H2,1-2H3.
What are the key properties of 4-chloro-3,5-dimethyl-2-(2-piperazin-1-ylethyl)phenol?
4-chloro-3,5-dimethyl-2-(2-piperazin-1-ylethyl)phenol has a molecular weight of 268.79 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,5-dimethyl-2-(2-piperazin-1-ylethyl)phenol is sourced from PubChem (CID 82265416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).