N-[4-hydroxy-2-(piperazin-1-ylmethyl)phenyl]formamide

C12H17N3O2 — CID 82510499

IUPACN-[4-hydroxy-2-(piperazin-1-ylmethyl)phenyl]formamide
SMILESO=CNc1ccc(O)cc1CN1CCNCC1
InChIInChI=1S/C12H17N3O2/c16-9-14-12-2-1-11(17)7-10(12)8-15-5-3-13-4-6-15/h1-2,7,9,13,17H,3-6,8H2,(H,14,16)
InChIKeyHTDIVVBTBPHBAA-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.37
Rot. Bonds4

About N-[4-hydroxy-2-(piperazin-1-ylmethyl)phenyl]formamide

N-[4-hydroxy-2-(piperazin-1-ylmethyl)phenyl]formamide (PubChem CID 82510499) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[4-hydroxy-2-(piperazin-1-ylmethyl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-hydroxy-2-(piperazin-1-ylmethyl)phenyl]formamide
PubChem CID82510499
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-[4-hydroxy-2-(piperazin-1-ylmethyl)phenyl]formamide
SMILESO=CNc1ccc(O)cc1CN1CCNCC1
InChIInChI=1S/C12H17N3O2/c16-9-14-12-2-1-11(17)7-10(12)8-15-5-3-13-4-6-15/h1-2,7,9,13,17H,3-6,8H2,(H,14,16)
InChIKeyHTDIVVBTBPHBAA-UHFFFAOYSA-N
XLogP0.37
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-2-(piperazin-1-ylmethyl)phenyl]formamide?
The IUPAC name of N-[4-hydroxy-2-(piperazin-1-ylmethyl)phenyl]formamide (CID 82510499) is N-[4-hydroxy-2-(piperazin-1-ylmethyl)phenyl]formamide.
What is the SMILES notation for N-[4-hydroxy-2-(piperazin-1-ylmethyl)phenyl]formamide?
The canonical SMILES for N-[4-hydroxy-2-(piperazin-1-ylmethyl)phenyl]formamide is O=CNc1ccc(O)cc1CN1CCNCC1.
What is the InChIKey of N-[4-hydroxy-2-(piperazin-1-ylmethyl)phenyl]formamide?
The InChIKey is HTDIVVBTBPHBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-9-14-12-2-1-11(17)7-10(12)8-15-5-3-13-4-6-15/h1-2,7,9,13,17H,3-6,8H2,(H,14,16).
What are the key properties of N-[4-hydroxy-2-(piperazin-1-ylmethyl)phenyl]formamide?
N-[4-hydroxy-2-(piperazin-1-ylmethyl)phenyl]formamide has a molecular weight of 235.29 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-2-(piperazin-1-ylmethyl)phenyl]formamide is sourced from PubChem (CID 82510499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).