4-methoxy-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline

C14H23N3O — CID 117377580

IUPAC4-methoxy-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline
SMILESCOc1ccc(N(C)C)c(CN2CCNCC2)c1
InChIInChI=1S/C14H23N3O/c1-16(2)14-5-4-13(18-3)10-12(14)11-17-8-6-15-7-9-17/h4-5,10,15H,6-9,11H2,1-3H3
InChIKeyFGQIWWFSSHFVOF-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.17
Rot. Bonds4

About 4-methoxy-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline

4-methoxy-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline (PubChem CID 117377580) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline.

Molecular Properties

Compound Name4-methoxy-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline
PubChem CID117377580
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-methoxy-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline
SMILESCOc1ccc(N(C)C)c(CN2CCNCC2)c1
InChIInChI=1S/C14H23N3O/c1-16(2)14-5-4-13(18-3)10-12(14)11-17-8-6-15-7-9-17/h4-5,10,15H,6-9,11H2,1-3H3
InChIKeyFGQIWWFSSHFVOF-UHFFFAOYSA-N
XLogP1.17
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-(1,4,7-triazonan-1-ylmethyl)phenol
CID 165144364
4-ethyl-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline
CID 117111686
1-[(2-chloro-4-methoxyphenyl)methyl]piperazine
CID 5037695
5-methoxy-2-(piperazin-1-ylmethyl)benzaldehyde
CID 117340822
1-[4-(2-ethyl-4-methoxyphenyl)butyl]piperazine
CID 83941550
1-[[2-(2-fluoro-5-methoxyphenyl)phenyl]methyl]piperazine
CID 56701153
1-[(3-chloro-2-fluoro-5-methoxyphenyl)methyl]piperazine
CID 117400621
1-[[2-(3-methoxyphenyl)phenyl]methyl]piperazine
CID 91111204
1-[1-[(2-bromo-5-methoxyphenyl)methyl]azetidin-3-yl]piperazine
CID 66196775
4-methoxy-2-[(4-propylpiperazin-1-yl)methyl]phenol
CID 82975290
4-methoxy-N,N-dimethyl-3-(2-piperazin-1-ylethyl)aniline
CID 117413761
1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride
CID 46736385

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline?
The IUPAC name of 4-methoxy-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline (CID 117377580) is 4-methoxy-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline.
What is the SMILES notation for 4-methoxy-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline?
The canonical SMILES for 4-methoxy-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline is COc1ccc(N(C)C)c(CN2CCNCC2)c1.
What is the InChIKey of 4-methoxy-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline?
The InChIKey is FGQIWWFSSHFVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-16(2)14-5-4-13(18-3)10-12(14)11-17-8-6-15-7-9-17/h4-5,10,15H,6-9,11H2,1-3H3.
What are the key properties of 4-methoxy-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline?
4-methoxy-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline has a molecular weight of 249.36 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline is sourced from PubChem (CID 117377580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).