3-[3-(methoxymethyl)piperidin-1-yl]-5-propan-2-yloxyaniline

C16H26N2O2 — CID 106585811

IUPAC3-[3-(methoxymethyl)piperidin-1-yl]-5-propan-2-yloxyaniline
SMILESCOCC1CCCN(c2cc(N)cc(OC(C)C)c2)C1
InChIInChI=1S/C16H26N2O2/c1-12(2)20-16-8-14(17)7-15(9-16)18-6-4-5-13(10-18)11-19-3/h7-9,12-13H,4-6,10-11,17H2,1-3H3
InChIKeyVUUUJHXTWCCOSJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.92
Rot. Bonds5

About 3-[3-(methoxymethyl)piperidin-1-yl]-5-propan-2-yloxyaniline

3-[3-(methoxymethyl)piperidin-1-yl]-5-propan-2-yloxyaniline (PubChem CID 106585811) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)piperidin-1-yl]-5-propan-2-yloxyaniline.

Molecular Properties

Compound Name3-[3-(methoxymethyl)piperidin-1-yl]-5-propan-2-yloxyaniline
PubChem CID106585811
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-[3-(methoxymethyl)piperidin-1-yl]-5-propan-2-yloxyaniline
SMILESCOCC1CCCN(c2cc(N)cc(OC(C)C)c2)C1
InChIInChI=1S/C16H26N2O2/c1-12(2)20-16-8-14(17)7-15(9-16)18-6-4-5-13(10-18)11-19-3/h7-9,12-13H,4-6,10-11,17H2,1-3H3
InChIKeyVUUUJHXTWCCOSJ-UHFFFAOYSA-N
XLogP2.92
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.92
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

3-methoxy-5-[3-(methoxymethyl)pyrrolidin-1-yl]aniline
CID 80735368
3-(4-methylpiperazin-1-yl)-5-propan-2-yloxyaniline
CID 80725422
5-[3-(methoxymethyl)piperidin-1-yl]-2-methylaniline
CID 106585865
5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]-4-propan-2-yloxyaniline
CID 106585784
(1R)-1-[4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanol
CID 106587670
1-[2-chloro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine
CID 106587278
[1-(3-amino-5-propoxyphenyl)piperidin-3-yl]methanol
CID 80731187
2-[3-(methoxymethyl)piperidin-1-yl]pyridin-4-amine
CID 106585882
6-[3-(methoxymethyl)piperidin-1-yl]-2-propan-2-ylpyrimidin-4-amine
CID 106590173
4-(3-amino-5-propan-2-yloxyphenyl)morpholine-2-carbonitrile
CID 80735801
2-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-5-amine
CID 106585802
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-methoxyaniline
CID 80737825

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)piperidin-1-yl]-5-propan-2-yloxyaniline?
The IUPAC name of 3-[3-(methoxymethyl)piperidin-1-yl]-5-propan-2-yloxyaniline (CID 106585811) is 3-[3-(methoxymethyl)piperidin-1-yl]-5-propan-2-yloxyaniline.
What is the SMILES notation for 3-[3-(methoxymethyl)piperidin-1-yl]-5-propan-2-yloxyaniline?
The canonical SMILES for 3-[3-(methoxymethyl)piperidin-1-yl]-5-propan-2-yloxyaniline is COCC1CCCN(c2cc(N)cc(OC(C)C)c2)C1.
What is the InChIKey of 3-[3-(methoxymethyl)piperidin-1-yl]-5-propan-2-yloxyaniline?
The InChIKey is VUUUJHXTWCCOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)20-16-8-14(17)7-15(9-16)18-6-4-5-13(10-18)11-19-3/h7-9,12-13H,4-6,10-11,17H2,1-3H3.
What are the key properties of 3-[3-(methoxymethyl)piperidin-1-yl]-5-propan-2-yloxyaniline?
3-[3-(methoxymethyl)piperidin-1-yl]-5-propan-2-yloxyaniline has a molecular weight of 278.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)piperidin-1-yl]-5-propan-2-yloxyaniline is sourced from PubChem (CID 106585811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).