2-butoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline

C17H28N2O — CID 54855465

IUPAC2-butoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline
SMILESCCCCOc1ccccc1NCC1CCCC(C)N1
InChIInChI=1S/C17H28N2O/c1-3-4-12-20-17-11-6-5-10-16(17)18-13-15-9-7-8-14(2)19-15/h5-6,10-11,14-15,18-19H,3-4,7-9,12-13H2,1-2H3
InChIKeyJGVTZTCPZXAWAD-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.81
Rot. Bonds7

About 2-butoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline

2-butoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline (PubChem CID 54855465) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-butoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-butoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline
PubChem CID54855465
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-butoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline
SMILESCCCCOc1ccccc1NCC1CCCC(C)N1
InChIInChI=1S/C17H28N2O/c1-3-4-12-20-17-11-6-5-10-16(17)18-13-15-9-7-8-14(2)19-15/h5-6,10-11,14-15,18-19H,3-4,7-9,12-13H2,1-2H3
InChIKeyJGVTZTCPZXAWAD-UHFFFAOYSA-N
XLogP3.81
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline
CID 54855753
2-(2-ethoxyethoxy)-N-[(6-methylpiperidin-2-yl)methyl]aniline
CID 54855650
N-[(6-methylpiperidin-2-yl)methyl]-2-propan-2-yloxyaniline
CID 54855757
N-(2-butoxyphenyl)-6-methylpiperidine-2-carboxamide
CID 54856149
N-(cyclopropylmethyl)-2-propoxyaniline
CID 43682348
N'-(2-butoxyphenyl)-N-cyclohexylethane-1,2-diamine
CID 54809931
3-ethoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline
CID 54855539
N-(piperidin-3-ylmethyl)-2-propoxyaniline
CID 80553333
N-[(1-methylpiperidin-4-yl)methyl]-2-propoxyaniline
CID 55100134
N'-(2-butoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808133
N-cyclohexyl-2-propoxyaniline
CID 43682292
1,3-bis(2-butoxyphenyl)urea
CID 17170447

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline?
The IUPAC name of 2-butoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline (CID 54855465) is 2-butoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline.
What is the SMILES notation for 2-butoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline?
The canonical SMILES for 2-butoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline is CCCCOc1ccccc1NCC1CCCC(C)N1.
What is the InChIKey of 2-butoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline?
The InChIKey is JGVTZTCPZXAWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-4-12-20-17-11-6-5-10-16(17)18-13-15-9-7-8-14(2)19-15/h5-6,10-11,14-15,18-19H,3-4,7-9,12-13H2,1-2H3.
What are the key properties of 2-butoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline?
2-butoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline has a molecular weight of 276.42 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline is sourced from PubChem (CID 54855465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).