(4-methoxyphenyl)-piperazin-1-ylmethanamine

C12H19N3O — CID 116939730

IUPAC(4-methoxyphenyl)-piperazin-1-ylmethanamine
SMILESCOc1ccc(C(N)N2CCNCC2)cc1
InChIInChI=1S/C12H19N3O/c1-16-11-4-2-10(3-5-11)12(13)15-8-6-14-7-9-15/h2-5,12,14H,6-9,13H2,1H3
InChIKeyUACXBKRCJJXGIP-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.56
Rot. Bonds3

About (4-methoxyphenyl)-piperazin-1-ylmethanamine

(4-methoxyphenyl)-piperazin-1-ylmethanamine (PubChem CID 116939730) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (4-methoxyphenyl)-piperazin-1-ylmethanamine.

Molecular Properties

Compound Name(4-methoxyphenyl)-piperazin-1-ylmethanamine
PubChem CID116939730
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(4-methoxyphenyl)-piperazin-1-ylmethanamine
SMILESCOc1ccc(C(N)N2CCNCC2)cc1
InChIInChI=1S/C12H19N3O/c1-16-11-4-2-10(3-5-11)12(13)15-8-6-14-7-9-15/h2-5,12,14H,6-9,13H2,1H3
InChIKeyUACXBKRCJJXGIP-UHFFFAOYSA-N
XLogP0.56
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxyphenyl)-piperazin-1-ylmethanamine
CID 116939833
1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine
CID 7047764
(4-fluorophenyl)-piperazin-1-ylmethanamine
CID 116939727
2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide
CID 54891952
(4-tert-butylphenyl)-piperazin-1-ylmethanamine
CID 116939723
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine
CID 171181751
1-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperazine
CID 3987731
1-[(1S)-2,2-difluoro-1-(4-methoxyphenyl)ethyl]piperazine
CID 171287219
1-[1-(4-methoxyphenyl)propyl]piperazine
CID 3971378
1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine
CID 7047760
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171181752
1-(4-methoxyphenyl)-2-piperazin-1-ylethanamine
CID 82291368

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-piperazin-1-ylmethanamine?
The IUPAC name of (4-methoxyphenyl)-piperazin-1-ylmethanamine (CID 116939730) is (4-methoxyphenyl)-piperazin-1-ylmethanamine.
What is the SMILES notation for (4-methoxyphenyl)-piperazin-1-ylmethanamine?
The canonical SMILES for (4-methoxyphenyl)-piperazin-1-ylmethanamine is COc1ccc(C(N)N2CCNCC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-piperazin-1-ylmethanamine?
The InChIKey is UACXBKRCJJXGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-16-11-4-2-10(3-5-11)12(13)15-8-6-14-7-9-15/h2-5,12,14H,6-9,13H2,1H3.
What are the key properties of (4-methoxyphenyl)-piperazin-1-ylmethanamine?
(4-methoxyphenyl)-piperazin-1-ylmethanamine has a molecular weight of 221.30 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-piperazin-1-ylmethanamine is sourced from PubChem (CID 116939730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).