1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]cyclopropan-1-amine

C15H23N3O — CID 65458650

IUPAC1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]cyclopropan-1-amine
SMILESCOc1ccc(N2CCN(CC3(N)CC3)CC2)cc1
InChIInChI=1S/C15H23N3O/c1-19-14-4-2-13(3-5-14)18-10-8-17(9-11-18)12-15(16)6-7-15/h2-5H,6-12,16H2,1H3
InChIKeyXRZZFOKALOKLRX-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.31
Rot. Bonds4

About 1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]cyclopropan-1-amine

1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]cyclopropan-1-amine (PubChem CID 65458650) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]cyclopropan-1-amine
PubChem CID65458650
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]cyclopropan-1-amine
SMILESCOc1ccc(N2CCN(CC3(N)CC3)CC2)cc1
InChIInChI=1S/C15H23N3O/c1-19-14-4-2-13(3-5-14)18-10-8-17(9-11-18)12-15(16)6-7-15/h2-5H,6-12,16H2,1H3
InChIKeyXRZZFOKALOKLRX-UHFFFAOYSA-N
XLogP1.31
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.31
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

1-[[1-(bromomethyl)cyclobutyl]methyl]-4-(4-methoxyphenyl)piperazine
CID 65009570
1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846
1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine
CID 1439447
4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride
CID 68547015
2-amino-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-ol
CID 64792176
1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-2-amine
CID 43650418
1-cyclopropyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine
CID 63913419
2-[4-(4-methoxyphenyl)piperazin-1-yl]acetohydrazide
CID 2755809
1-(4-methoxyphenyl)-4-sulfanylpiperazine;propane
CID 142914389
1-(4-methoxyphenyl)piperidine
CID 10130315
4-[4-(4-methoxyphenyl)piperazin-1-yl]butanethioamide
CID 24693485
2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
CID 22111107

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]cyclopropan-1-amine (CID 65458650) is 1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]cyclopropan-1-amine is COc1ccc(N2CCN(CC3(N)CC3)CC2)cc1.
What is the InChIKey of 1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]cyclopropan-1-amine?
The InChIKey is XRZZFOKALOKLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-19-14-4-2-13(3-5-14)18-10-8-17(9-11-18)12-15(16)6-7-15/h2-5H,6-12,16H2,1H3.
What are the key properties of 1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]cyclopropan-1-amine?
1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]cyclopropan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 65458650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).