[3-(piperazin-1-ylmethyl)phenyl]methanol

C12H18N2O — CID 23023149

IUPAC[3-(piperazin-1-ylmethyl)phenyl]methanol
SMILESOCc1cccc(CN2CCNCC2)c1
InChIInChI=1S/C12H18N2O/c15-10-12-3-1-2-11(8-12)9-14-6-4-13-5-7-14/h1-3,8,13,15H,4-7,9-10H2
InChIKeyLEHZEBYVLGLYOW-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.58
Rot. Bonds3

About [3-(piperazin-1-ylmethyl)phenyl]methanol

[3-(piperazin-1-ylmethyl)phenyl]methanol (PubChem CID 23023149) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is [3-(piperazin-1-ylmethyl)phenyl]methanol.

Molecular Properties

Compound Name[3-(piperazin-1-ylmethyl)phenyl]methanol
PubChem CID23023149
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name[3-(piperazin-1-ylmethyl)phenyl]methanol
SMILESOCc1cccc(CN2CCNCC2)c1
InChIInChI=1S/C12H18N2O/c15-10-12-3-1-2-11(8-12)9-14-6-4-13-5-7-14/h1-3,8,13,15H,4-7,9-10H2
InChIKeyLEHZEBYVLGLYOW-UHFFFAOYSA-N
XLogP0.58
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 3014358
1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride
CID 53422102
ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
CID 164591484
azane;1-benzylpiperazine
CID 174866973
1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 13458726
1-[[3-(3-methylphenyl)phenyl]methyl]piperazine
CID 82092036
2-[3-(1,4-diazepan-1-ylmethyl)phenyl]acetonitrile
CID 82135654
1-[[3-(2-methoxypropyl)phenyl]methyl]piperazine
CID 117111625
N-carbamothioyl-2-[3-(piperazin-1-ylmethyl)phenyl]acetamide
CID 118374362
[3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 10755739
1-[[3-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-1,4-diazepane
CID 90760326
3-(1,4-diazepan-1-ylmethyl)benzamide;hydrochloride
CID 119906487

Frequently Asked Questions

What is the IUPAC name of [3-(piperazin-1-ylmethyl)phenyl]methanol?
The IUPAC name of [3-(piperazin-1-ylmethyl)phenyl]methanol (CID 23023149) is [3-(piperazin-1-ylmethyl)phenyl]methanol.
What is the SMILES notation for [3-(piperazin-1-ylmethyl)phenyl]methanol?
The canonical SMILES for [3-(piperazin-1-ylmethyl)phenyl]methanol is OCc1cccc(CN2CCNCC2)c1.
What is the InChIKey of [3-(piperazin-1-ylmethyl)phenyl]methanol?
The InChIKey is LEHZEBYVLGLYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c15-10-12-3-1-2-11(8-12)9-14-6-4-13-5-7-14/h1-3,8,13,15H,4-7,9-10H2.
What are the key properties of [3-(piperazin-1-ylmethyl)phenyl]methanol?
[3-(piperazin-1-ylmethyl)phenyl]methanol has a molecular weight of 206.29 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(piperazin-1-ylmethyl)phenyl]methanol is sourced from PubChem (CID 23023149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).