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

C13H19N3O — CID 82510274

IUPACN-methyl-N-[2-(piperazin-1-ylmethyl)phenyl]formamide
SMILESCN(C=O)c1ccccc1CN1CCNCC1
InChIInChI=1S/C13H19N3O/c1-15(11-17)13-5-3-2-4-12(13)10-16-8-6-14-7-9-16/h2-5,11,14H,6-10H2,1H3
InChIKeyRCJNAXVDMRSPAR-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.68
Rot. Bonds4

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

N-methyl-N-[2-(piperazin-1-ylmethyl)phenyl]formamide (PubChem CID 82510274) has the molecular formula C13H19N3O and a molecular weight of 233.32 g/mol. Its IUPAC name is N-methyl-N-[2-(piperazin-1-ylmethyl)phenyl]formamide.

Molecular Properties

Compound NameN-methyl-N-[2-(piperazin-1-ylmethyl)phenyl]formamide
PubChem CID82510274
Molecular FormulaC13H19N3O
Molecular Weight233.32 g/mol
Exact Mass233.15
IUPAC NameN-methyl-N-[2-(piperazin-1-ylmethyl)phenyl]formamide
SMILESCN(C=O)c1ccccc1CN1CCNCC1
InChIInChI=1S/C13H19N3O/c1-15(11-17)13-5-3-2-4-12(13)10-16-8-6-14-7-9-16/h2-5,11,14H,6-10H2,1H3
InChIKeyRCJNAXVDMRSPAR-UHFFFAOYSA-N
XLogP0.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-ethylphenyl)methyl]piperazine
CID 62415674
1-[(2-bromo-3-methylphenyl)methyl]piperazine
CID 83742586
5-methyl-2-(piperazin-1-ylmethyl)phenol
CID 82610699
2-ethyl-6-(piperazin-1-ylmethyl)aniline
CID 82509243
1-[(2-ethyl-5-methylphenyl)methyl]piperazine
CID 117311481
2-methyl-4-(piperazin-1-ylmethyl)-1,3-benzoxazole
CID 82510160
N-methyl-2-(piperazin-1-ylmethyl)benzamide
CID 82510273
methyl 2-(piperazin-1-ylmethyl)benzoate
CID 44829012
azane;1-benzylpiperazine
CID 174866973
1-[[2-(2,2-difluoroethyl)phenyl]methyl]piperazine
CID 84701976
1-[(3-methoxy-2-methylphenyl)methyl]piperazine
CID 83707267
2-[2-(piperazin-1-ylmethyl)phenyl]acetohydrazide
CID 115465423

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(piperazin-1-ylmethyl)phenyl]formamide?
The IUPAC name of N-methyl-N-[2-(piperazin-1-ylmethyl)phenyl]formamide (CID 82510274) is N-methyl-N-[2-(piperazin-1-ylmethyl)phenyl]formamide.
What is the SMILES notation for N-methyl-N-[2-(piperazin-1-ylmethyl)phenyl]formamide?
The canonical SMILES for N-methyl-N-[2-(piperazin-1-ylmethyl)phenyl]formamide is CN(C=O)c1ccccc1CN1CCNCC1.
What is the InChIKey of N-methyl-N-[2-(piperazin-1-ylmethyl)phenyl]formamide?
The InChIKey is RCJNAXVDMRSPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-15(11-17)13-5-3-2-4-12(13)10-16-8-6-14-7-9-16/h2-5,11,14H,6-10H2,1H3.
What are the key properties of N-methyl-N-[2-(piperazin-1-ylmethyl)phenyl]formamide?
N-methyl-N-[2-(piperazin-1-ylmethyl)phenyl]formamide has a molecular weight of 233.32 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(piperazin-1-ylmethyl)phenyl]formamide is sourced from PubChem (CID 82510274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).