(4-benzylpiperazin-2-yl)methanol

C12H18N2O — CID 2756656

IUPAC(4-benzylpiperazin-2-yl)methanol
SMILESOCC1CN(Cc2ccccc2)CCN1
InChIInChI=1S/C12H18N2O/c15-10-12-9-14(7-6-13-12)8-11-4-2-1-3-5-11/h1-5,12-13,15H,6-10H2
InChIKeyPJMFGDYBTJEEDP-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.45
Rot. Bonds3

About (4-benzylpiperazin-2-yl)methanol

(4-benzylpiperazin-2-yl)methanol (PubChem CID 2756656) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (4-benzylpiperazin-2-yl)methanol.

Molecular Properties

Compound Name(4-benzylpiperazin-2-yl)methanol
PubChem CID2756656
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(4-benzylpiperazin-2-yl)methanol
SMILESOCC1CN(Cc2ccccc2)CCN1
InChIInChI=1S/C12H18N2O/c15-10-12-9-14(7-6-13-12)8-11-4-2-1-3-5-11/h1-5,12-13,15H,6-10H2
InChIKeyPJMFGDYBTJEEDP-UHFFFAOYSA-N
XLogP0.45
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 ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-2-yl)methanol?
The IUPAC name of (4-benzylpiperazin-2-yl)methanol (CID 2756656) is (4-benzylpiperazin-2-yl)methanol.
What is the SMILES notation for (4-benzylpiperazin-2-yl)methanol?
The canonical SMILES for (4-benzylpiperazin-2-yl)methanol is OCC1CN(Cc2ccccc2)CCN1.
What is the InChIKey of (4-benzylpiperazin-2-yl)methanol?
The InChIKey is PJMFGDYBTJEEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c15-10-12-9-14(7-6-13-12)8-11-4-2-1-3-5-11/h1-5,12-13,15H,6-10H2.
What are the key properties of (4-benzylpiperazin-2-yl)methanol?
(4-benzylpiperazin-2-yl)methanol has a molecular weight of 206.29 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-2-yl)methanol is sourced from PubChem (CID 2756656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).