3-[2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethyl]phenol

C15H25N3O — CID 83977987

IUPAC3-[2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethyl]phenol
SMILESCC1CNCCN1C(CN(C)C)c1cccc(O)c1
InChIInChI=1S/C15H25N3O/c1-12-10-16-7-8-18(12)15(11-17(2)3)13-5-4-6-14(19)9-13/h4-6,9,12,15-16,19H,7-8,10-11H2,1-3H3
InChIKeyALVFSKGLCOQCJR-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.29
Rot. Bonds4

About 3-[2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethyl]phenol

3-[2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethyl]phenol (PubChem CID 83977987) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethyl]phenol.

Molecular Properties

Compound Name3-[2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethyl]phenol
PubChem CID83977987
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-[2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethyl]phenol
SMILESCC1CNCCN1C(CN(C)C)c1cccc(O)c1
InChIInChI=1S/C15H25N3O/c1-12-10-16-7-8-18(12)15(11-17(2)3)13-5-4-6-14(19)9-13/h4-6,9,12,15-16,19H,7-8,10-11H2,1-3H3
InChIKeyALVFSKGLCOQCJR-UHFFFAOYSA-N
XLogP1.29
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 83978741
2-(furan-2-yl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)ethanamine
CID 83978834
N,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine
CID 83979376
2-(2-methylpiperazin-1-yl)-2-(3-phenoxyphenyl)ethanol
CID 83978303
3-(1-piperazin-1-ylpropyl)phenol;dihydrochloride
CID 23080544
2-[3-[(4-methylphenyl)methoxy]phenyl]-2-(2-methylpiperazin-1-yl)ethanol
CID 83979295
2-(3-chlorophenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 58786565
2-(3,4-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol
CID 83978276
3-[1-(dimethylamino)propan-2-yl]phenol
CID 3029890
3-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol
CID 171188985
1-[1-(3-fluorophenyl)ethyl]-2-methylpiperazine
CID 64931500
1-(azepan-1-yl)-2-(2-ethylpiperazin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 112539341

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethyl]phenol?
The IUPAC name of 3-[2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethyl]phenol (CID 83977987) is 3-[2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethyl]phenol.
What is the SMILES notation for 3-[2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethyl]phenol?
The canonical SMILES for 3-[2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethyl]phenol is CC1CNCCN1C(CN(C)C)c1cccc(O)c1.
What is the InChIKey of 3-[2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethyl]phenol?
The InChIKey is ALVFSKGLCOQCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12-10-16-7-8-18(12)15(11-17(2)3)13-5-4-6-14(19)9-13/h4-6,9,12,15-16,19H,7-8,10-11H2,1-3H3.
What are the key properties of 3-[2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethyl]phenol?
3-[2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethyl]phenol has a molecular weight of 263.38 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethyl]phenol is sourced from PubChem (CID 83977987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).