N-[(1-methylpiperazin-2-yl)methyl]-1-(4-phenylmethoxyphenyl)ethanamine

C21H29N3O — CID 167904486

IUPACN-[(1-methylpiperazin-2-yl)methyl]-1-(4-phenylmethoxyphenyl)ethanamine
SMILESCC(NCC1CNCCN1C)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H29N3O/c1-17(23-15-20-14-22-12-13-24(20)2)19-8-10-21(11-9-19)25-16-18-6-4-3-5-7-18/h3-11,17,20,22-23H,12-16H2,1-2H3
InChIKeyTUESCGDFSISHIY-UHFFFAOYSA-N
MW339.48 g/mol
LogP2.82
Rot. Bonds7

About N-[(1-methylpiperazin-2-yl)methyl]-1-(4-phenylmethoxyphenyl)ethanamine

N-[(1-methylpiperazin-2-yl)methyl]-1-(4-phenylmethoxyphenyl)ethanamine (PubChem CID 167904486) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[(1-methylpiperazin-2-yl)methyl]-1-(4-phenylmethoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(1-methylpiperazin-2-yl)methyl]-1-(4-phenylmethoxyphenyl)ethanamine
PubChem CID167904486
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-[(1-methylpiperazin-2-yl)methyl]-1-(4-phenylmethoxyphenyl)ethanamine
SMILESCC(NCC1CNCCN1C)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H29N3O/c1-17(23-15-20-14-22-12-13-24(20)2)19-8-10-21(11-9-19)25-16-18-6-4-3-5-7-18/h3-11,17,20,22-23H,12-16H2,1-2H3
InChIKeyTUESCGDFSISHIY-UHFFFAOYSA-N
XLogP2.82
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperazin-2-yl)methyl]-1-(4-phenylmethoxyphenyl)ethanamine?
The IUPAC name of N-[(1-methylpiperazin-2-yl)methyl]-1-(4-phenylmethoxyphenyl)ethanamine (CID 167904486) is N-[(1-methylpiperazin-2-yl)methyl]-1-(4-phenylmethoxyphenyl)ethanamine.
What is the SMILES notation for N-[(1-methylpiperazin-2-yl)methyl]-1-(4-phenylmethoxyphenyl)ethanamine?
The canonical SMILES for N-[(1-methylpiperazin-2-yl)methyl]-1-(4-phenylmethoxyphenyl)ethanamine is CC(NCC1CNCCN1C)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[(1-methylpiperazin-2-yl)methyl]-1-(4-phenylmethoxyphenyl)ethanamine?
The InChIKey is TUESCGDFSISHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-17(23-15-20-14-22-12-13-24(20)2)19-8-10-21(11-9-19)25-16-18-6-4-3-5-7-18/h3-11,17,20,22-23H,12-16H2,1-2H3.
What are the key properties of N-[(1-methylpiperazin-2-yl)methyl]-1-(4-phenylmethoxyphenyl)ethanamine?
N-[(1-methylpiperazin-2-yl)methyl]-1-(4-phenylmethoxyphenyl)ethanamine has a molecular weight of 339.48 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperazin-2-yl)methyl]-1-(4-phenylmethoxyphenyl)ethanamine is sourced from PubChem (CID 167904486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).