2-[(4,4-diethylpiperidin-1-yl)methyl]-4-methoxyaniline

C17H28N2O — CID 115414111

IUPAC2-[(4,4-diethylpiperidin-1-yl)methyl]-4-methoxyaniline
SMILESCCC1(CC)CCN(Cc2cc(OC)ccc2N)CC1
InChIInChI=1S/C17H28N2O/c1-4-17(5-2)8-10-19(11-9-17)13-14-12-15(20-3)6-7-16(14)18/h6-7,12H,4-5,8-11,13,18H2,1-3H3
InChIKeySEAPBTHRCWQWJP-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.68
Rot. Bonds5

About 2-[(4,4-diethylpiperidin-1-yl)methyl]-4-methoxyaniline

2-[(4,4-diethylpiperidin-1-yl)methyl]-4-methoxyaniline (PubChem CID 115414111) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[(4,4-diethylpiperidin-1-yl)methyl]-4-methoxyaniline.

Molecular Properties

Compound Name2-[(4,4-diethylpiperidin-1-yl)methyl]-4-methoxyaniline
PubChem CID115414111
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[(4,4-diethylpiperidin-1-yl)methyl]-4-methoxyaniline
SMILESCCC1(CC)CCN(Cc2cc(OC)ccc2N)CC1
InChIInChI=1S/C17H28N2O/c1-4-17(5-2)8-10-19(11-9-17)13-14-12-15(20-3)6-7-16(14)18/h6-7,12H,4-5,8-11,13,18H2,1-3H3
InChIKeySEAPBTHRCWQWJP-UHFFFAOYSA-N
XLogP3.68
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methoxyaniline
CID 113305258
4-methoxy-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]aniline
CID 115414078
2-[(4-ethoxypiperidin-1-yl)methyl]-4-methoxyaniline
CID 115413849
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-methoxyaniline
CID 115413949
2-[(2-ethylmorpholin-4-yl)methyl]-4-methoxyaniline
CID 115413796
1-[(5-bromo-2-methoxyphenyl)methyl]-4,4-diethylpiperidine
CID 63456682
2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-fluoroaniline
CID 63156387
3-[(4,4-diethylpiperidin-1-yl)methyl]-2-fluoroaniline
CID 107347423
4-methoxy-2-[(3-propoxypiperidin-1-yl)methyl]aniline
CID 115413955
3-[(4,4-diethylpiperidin-1-yl)methyl]-4-ethoxyaniline
CID 63157257
5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]aniline
CID 59353063
4-methoxy-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]aniline
CID 114490097

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-diethylpiperidin-1-yl)methyl]-4-methoxyaniline?
The IUPAC name of 2-[(4,4-diethylpiperidin-1-yl)methyl]-4-methoxyaniline (CID 115414111) is 2-[(4,4-diethylpiperidin-1-yl)methyl]-4-methoxyaniline.
What is the SMILES notation for 2-[(4,4-diethylpiperidin-1-yl)methyl]-4-methoxyaniline?
The canonical SMILES for 2-[(4,4-diethylpiperidin-1-yl)methyl]-4-methoxyaniline is CCC1(CC)CCN(Cc2cc(OC)ccc2N)CC1.
What is the InChIKey of 2-[(4,4-diethylpiperidin-1-yl)methyl]-4-methoxyaniline?
The InChIKey is SEAPBTHRCWQWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-17(5-2)8-10-19(11-9-17)13-14-12-15(20-3)6-7-16(14)18/h6-7,12H,4-5,8-11,13,18H2,1-3H3.
What are the key properties of 2-[(4,4-diethylpiperidin-1-yl)methyl]-4-methoxyaniline?
2-[(4,4-diethylpiperidin-1-yl)methyl]-4-methoxyaniline has a molecular weight of 276.42 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-diethylpiperidin-1-yl)methyl]-4-methoxyaniline is sourced from PubChem (CID 115414111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).