(3-methoxy-4-piperazin-1-ylphenyl)methanol

C12H18N2O2 — CID 84788686

IUPAC(3-methoxy-4-piperazin-1-ylphenyl)methanol
SMILESCOc1cc(CO)ccc1N1CCNCC1
InChIInChI=1S/C12H18N2O2/c1-16-12-8-10(9-15)2-3-11(12)14-6-4-13-5-7-14/h2-3,8,13,15H,4-7,9H2,1H3
InChIKeyWQKSJILZBJENFI-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.60
Rot. Bonds3

About (3-methoxy-4-piperazin-1-ylphenyl)methanol

(3-methoxy-4-piperazin-1-ylphenyl)methanol (PubChem CID 84788686) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (3-methoxy-4-piperazin-1-ylphenyl)methanol.

Molecular Properties

Compound Name(3-methoxy-4-piperazin-1-ylphenyl)methanol
PubChem CID84788686
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(3-methoxy-4-piperazin-1-ylphenyl)methanol
SMILESCOc1cc(CO)ccc1N1CCNCC1
InChIInChI=1S/C12H18N2O2/c1-16-12-8-10(9-15)2-3-11(12)14-6-4-13-5-7-14/h2-3,8,13,15H,4-7,9H2,1H3
InChIKeyWQKSJILZBJENFI-UHFFFAOYSA-N
XLogP0.60
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-N-propylpropan-1-amine
CID 84754111
1-(2-methoxy-4-methylphenyl)piperazine
CID 10488507
1-(4-iodo-2-methoxyphenyl)piperazine
CID 134534497
(4-methyl-3-piperazin-1-ylphenyl)methanol
CID 84779191
4-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-2,6-dimethylmorpholine
CID 84754118
1-[5-(fluoromethyl)-2-methoxyphenyl]piperazine
CID 140978412
1-[2-methoxy-4-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 121225637
1-[4-(1,1-difluoroethyl)-2-methoxyphenyl]piperazine
CID 115047761
1-[2-methoxy-4-(2-methoxyethoxy)phenyl]piperazine;hydrochloride
CID 156693635
1-(4,5-dimethoxy-2-methylphenyl)piperazine
CID 82476463
N-[[4-(1,4-diazepan-1-yl)-3-ethoxyphenyl]methyl]ethanamine
CID 84749782
(2-piperazin-1-yl-5-propan-2-ylphenyl)methanol
CID 138530373

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-piperazin-1-ylphenyl)methanol?
The IUPAC name of (3-methoxy-4-piperazin-1-ylphenyl)methanol (CID 84788686) is (3-methoxy-4-piperazin-1-ylphenyl)methanol.
What is the SMILES notation for (3-methoxy-4-piperazin-1-ylphenyl)methanol?
The canonical SMILES for (3-methoxy-4-piperazin-1-ylphenyl)methanol is COc1cc(CO)ccc1N1CCNCC1.
What is the InChIKey of (3-methoxy-4-piperazin-1-ylphenyl)methanol?
The InChIKey is WQKSJILZBJENFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-16-12-8-10(9-15)2-3-11(12)14-6-4-13-5-7-14/h2-3,8,13,15H,4-7,9H2,1H3.
What are the key properties of (3-methoxy-4-piperazin-1-ylphenyl)methanol?
(3-methoxy-4-piperazin-1-ylphenyl)methanol has a molecular weight of 222.29 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-piperazin-1-ylphenyl)methanol is sourced from PubChem (CID 84788686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).