2-(piperazin-1-ylmethyl)phenol

C11H16N2O — CID 14747410

IUPAC2-(piperazin-1-ylmethyl)phenol
SMILESOc1ccccc1CN1CCNCC1
InChIInChI=1S/C11H16N2O/c14-11-4-2-1-3-10(11)9-13-7-5-12-6-8-13/h1-4,12,14H,5-9H2
InChIKeyGQRQDGSWNXOCNK-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.80
Rot. Bonds2

About 2-(piperazin-1-ylmethyl)phenol

2-(piperazin-1-ylmethyl)phenol (PubChem CID 14747410) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(piperazin-1-ylmethyl)phenol.

Molecular Properties

Compound Name2-(piperazin-1-ylmethyl)phenol
PubChem CID14747410
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-(piperazin-1-ylmethyl)phenol
SMILESOc1ccccc1CN1CCNCC1
InChIInChI=1S/C11H16N2O/c14-11-4-2-1-3-10(11)9-13-7-5-12-6-8-13/h1-4,12,14H,5-9H2
InChIKeyGQRQDGSWNXOCNK-UHFFFAOYSA-N
XLogP0.80
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Aminomethyl)phenol
CID 70267
N,N-bis[2-hydroxybenzyl]amine
CID 230856
2-{[(1-Phenylethyl)amino]methyl}phenol
CID 3669487
2-((Dimethylamino)methyl)phenol
CID 32897
1-(3-Hydroxybenzyl)piperidine
CID 826974
2-(4-Morpholinylmethyl)phenol
CID 225458
2-(4,5-dihydro-1H-imidazol-2-yl)phenol
CID 219259
3-(2-Phenyl-2-(piperazin-1-yl)ethyl)phenol
CID 13904714
2-({[(2S)-1-cyclohexylpropan-2-yl]amino}methyl)phenol
CID 16037872
(2-Hydroxy-phenyl)-[4-(2-hydroxy-thiobenzoyl)-piperazin-1-yl]-methanethione
CID 586440
2,2'-(Ethane-1,2-diylbis(azanediylmethylene))diphenol
CID 199210
(2-Hydroxyphenyl)-1-piperidinylmethanethione
CID 16246

Frequently Asked Questions

What is the IUPAC name of 2-(piperazin-1-ylmethyl)phenol?
The IUPAC name of 2-(piperazin-1-ylmethyl)phenol (CID 14747410) is 2-(piperazin-1-ylmethyl)phenol.
What is the SMILES notation for 2-(piperazin-1-ylmethyl)phenol?
The canonical SMILES for 2-(piperazin-1-ylmethyl)phenol is Oc1ccccc1CN1CCNCC1.
What is the InChIKey of 2-(piperazin-1-ylmethyl)phenol?
The InChIKey is GQRQDGSWNXOCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c14-11-4-2-1-3-10(11)9-13-7-5-12-6-8-13/h1-4,12,14H,5-9H2.
What are the key properties of 2-(piperazin-1-ylmethyl)phenol?
2-(piperazin-1-ylmethyl)phenol has a molecular weight of 192.26 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperazin-1-ylmethyl)phenol is sourced from PubChem (CID 14747410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).