5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyaniline

C16H25N3O — CID 61440178

IUPAC5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyaniline
SMILESCOc1ccc(CN2CCN(CC3CC3)CC2)cc1N
InChIInChI=1S/C16H25N3O/c1-20-16-5-4-14(10-15(16)17)12-19-8-6-18(7-9-19)11-13-2-3-13/h4-5,10,13H,2-3,6-9,11-12,17H2,1H3
InChIKeyNZLLXHCPHPNWGM-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.80
Rot. Bonds5

About 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyaniline

5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyaniline (PubChem CID 61440178) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyaniline.

Molecular Properties

Compound Name5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyaniline
PubChem CID61440178
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyaniline
SMILESCOc1ccc(CN2CCN(CC3CC3)CC2)cc1N
InChIInChI=1S/C16H25N3O/c1-20-16-5-4-14(10-15(16)17)12-19-8-6-18(7-9-19)11-13-2-3-13/h4-5,10,13H,2-3,6-9,11-12,17H2,1H3
InChIKeyNZLLXHCPHPNWGM-UHFFFAOYSA-N
XLogP1.80
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyphenyl]methanamine
CID 106785322
5-[(4-benzylpiperidin-1-yl)methyl]-2-methoxyaniline
CID 39448734
1-[(3-amino-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62942602
5-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-2-methoxyaniline
CID 62886240
5-[(4-butan-2-ylpiperazin-1-yl)methyl]-2-methoxyaniline
CID 62774197
5-[(3-ethoxypiperidin-1-yl)methyl]-2-methoxyaniline
CID 54985085
3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]aniline
CID 61440176
2-methoxy-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]aniline
CID 81199147
1-[(3-amino-4-methoxyphenyl)methyl]-4-methylazepan-4-ol
CID 107403894
2-methoxy-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]aniline
CID 62987382
[1-[(3-amino-4-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102777626
2-[(3-amino-4-methoxyphenyl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81099811

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyaniline?
The IUPAC name of 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyaniline (CID 61440178) is 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyaniline.
What is the SMILES notation for 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyaniline?
The canonical SMILES for 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyaniline is COc1ccc(CN2CCN(CC3CC3)CC2)cc1N.
What is the InChIKey of 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyaniline?
The InChIKey is NZLLXHCPHPNWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-20-16-5-4-14(10-15(16)17)12-19-8-6-18(7-9-19)11-13-2-3-13/h4-5,10,13H,2-3,6-9,11-12,17H2,1H3.
What are the key properties of 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyaniline?
5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyaniline has a molecular weight of 275.40 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyaniline is sourced from PubChem (CID 61440178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).