2-[1-(3,4-dimethylpiperazin-1-yl)ethyl]phenol

C14H22N2O — CID 82979211

IUPAC2-[1-(3,4-dimethylpiperazin-1-yl)ethyl]phenol
SMILESCC1CN(C(C)c2ccccc2O)CCN1C
InChIInChI=1S/C14H22N2O/c1-11-10-16(9-8-15(11)3)12(2)13-6-4-5-7-14(13)17/h4-7,11-12,17H,8-10H2,1-3H3
InChIKeyMWAXEGNXXDGQSN-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.09
Rot. Bonds2

About 2-[1-(3,4-dimethylpiperazin-1-yl)ethyl]phenol

2-[1-(3,4-dimethylpiperazin-1-yl)ethyl]phenol (PubChem CID 82979211) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylpiperazin-1-yl)ethyl]phenol.

Molecular Properties

Compound Name2-[1-(3,4-dimethylpiperazin-1-yl)ethyl]phenol
PubChem CID82979211
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[1-(3,4-dimethylpiperazin-1-yl)ethyl]phenol
SMILESCC1CN(C(C)c2ccccc2O)CCN1C
InChIInChI=1S/C14H22N2O/c1-11-10-16(9-8-15(11)3)12(2)13-6-4-5-7-14(13)17/h4-7,11-12,17H,8-10H2,1-3H3
InChIKeyMWAXEGNXXDGQSN-UHFFFAOYSA-N
XLogP2.09
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[1-(3,4-dimethylpiperazin-1-yl)ethyl]phenol
CID 82980127
1-(3,4-dimethylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine
CID 63605368
1-[4-[1-(2-hydroxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 82974185
3-[1-(3,4-dimethylpiperazin-1-yl)ethyl]aniline
CID 63603446
2-[1-(2-ethylmorpholin-4-yl)ethyl]phenol
CID 82976721
(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]ethanol
CID 63610426
2-[1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]phenol
CID 104969310
2-(3,4-dimethylpiperazin-1-yl)-1-phenylbutan-1-one
CID 55215618
2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol
CID 82979016
2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-phenylpropan-1-amine
CID 63610006
2-[1-[1-(2-hydroxyphenyl)ethyl]azetidin-3-yl]acetic acid
CID 65069827
2-[1-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-5-fluorophenol
CID 82980035

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethylpiperazin-1-yl)ethyl]phenol?
The IUPAC name of 2-[1-(3,4-dimethylpiperazin-1-yl)ethyl]phenol (CID 82979211) is 2-[1-(3,4-dimethylpiperazin-1-yl)ethyl]phenol.
What is the SMILES notation for 2-[1-(3,4-dimethylpiperazin-1-yl)ethyl]phenol?
The canonical SMILES for 2-[1-(3,4-dimethylpiperazin-1-yl)ethyl]phenol is CC1CN(C(C)c2ccccc2O)CCN1C.
What is the InChIKey of 2-[1-(3,4-dimethylpiperazin-1-yl)ethyl]phenol?
The InChIKey is MWAXEGNXXDGQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-10-16(9-8-15(11)3)12(2)13-6-4-5-7-14(13)17/h4-7,11-12,17H,8-10H2,1-3H3.
What are the key properties of 2-[1-(3,4-dimethylpiperazin-1-yl)ethyl]phenol?
2-[1-(3,4-dimethylpiperazin-1-yl)ethyl]phenol has a molecular weight of 234.34 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethylpiperazin-1-yl)ethyl]phenol is sourced from PubChem (CID 82979211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).