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

C13H20N2O — CID 82973086

IUPAC4-[(3,4-dimethylpiperazin-1-yl)methyl]phenol
SMILESCC1CN(Cc2ccc(O)cc2)CCN1C
InChIInChI=1S/C13H20N2O/c1-11-9-15(8-7-14(11)2)10-12-3-5-13(16)6-4-12/h3-6,11,16H,7-10H2,1-2H3
InChIKeyDFVQHKHTXNWNNA-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.53
Rot. Bonds2

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

4-[(3,4-dimethylpiperazin-1-yl)methyl]phenol (PubChem CID 82973086) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-[(3,4-dimethylpiperazin-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(3,4-dimethylpiperazin-1-yl)methyl]phenol
PubChem CID82973086
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-[(3,4-dimethylpiperazin-1-yl)methyl]phenol
SMILESCC1CN(Cc2ccc(O)cc2)CCN1C
InChIInChI=1S/C13H20N2O/c1-11-9-15(8-7-14(11)2)10-12-3-5-13(16)6-4-12/h3-6,11,16H,7-10H2,1-2H3
InChIKeyDFVQHKHTXNWNNA-UHFFFAOYSA-N
XLogP1.53
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3S)-3,4-dimethylpiperazin-1-yl]methyl]benzoic acid
CID 98533465
2-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]acetic acid
CID 105346018
4-bromo-3-[(3,4-dimethylpiperazin-1-yl)methyl]phenol
CID 82980054
2-(3,4-dimethylpiperazin-1-yl)-1-(4-hydroxyphenyl)ethanone
CID 63608714
4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylaniline
CID 63621224
5-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylaniline
CID 63621067
2-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylpropan-1-amine
CID 105347692
1,2-dimethyl-4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazine
CID 155471370
4-[(3,5-dimethylpiperidin-1-yl)methyl]phenol
CID 79015530
4-[(4-chloro-3-nitrophenyl)methyl]-1,2-dimethylpiperazine
CID 63610531
N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 55216612
5-[(3,4-dimethylpiperazin-1-yl)methyl]-2-fluorobenzonitrile
CID 103865064

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylpiperazin-1-yl)methyl]phenol?
The IUPAC name of 4-[(3,4-dimethylpiperazin-1-yl)methyl]phenol (CID 82973086) is 4-[(3,4-dimethylpiperazin-1-yl)methyl]phenol.
What is the SMILES notation for 4-[(3,4-dimethylpiperazin-1-yl)methyl]phenol?
The canonical SMILES for 4-[(3,4-dimethylpiperazin-1-yl)methyl]phenol is CC1CN(Cc2ccc(O)cc2)CCN1C.
What is the InChIKey of 4-[(3,4-dimethylpiperazin-1-yl)methyl]phenol?
The InChIKey is DFVQHKHTXNWNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11-9-15(8-7-14(11)2)10-12-3-5-13(16)6-4-12/h3-6,11,16H,7-10H2,1-2H3.
What are the key properties of 4-[(3,4-dimethylpiperazin-1-yl)methyl]phenol?
4-[(3,4-dimethylpiperazin-1-yl)methyl]phenol has a molecular weight of 220.32 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylpiperazin-1-yl)methyl]phenol is sourced from PubChem (CID 82973086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).