3-methoxy-N-(piperidin-3-ylmethyl)aniline

C13H20N2O — CID 79018540

IUPAC3-methoxy-N-(piperidin-3-ylmethyl)aniline
SMILESCOc1cccc(NCC2CCCNC2)c1
InChIInChI=1S/C13H20N2O/c1-16-13-6-2-5-12(8-13)15-10-11-4-3-7-14-9-11/h2,5-6,8,11,14-15H,3-4,7,9-10H2,1H3
InChIKeyCCGQAOUXFOJHPJ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.11
Rot. Bonds4

About 3-methoxy-N-(piperidin-3-ylmethyl)aniline

3-methoxy-N-(piperidin-3-ylmethyl)aniline (PubChem CID 79018540) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-methoxy-N-(piperidin-3-ylmethyl)aniline.

Molecular Properties

Compound Name3-methoxy-N-(piperidin-3-ylmethyl)aniline
PubChem CID79018540
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-methoxy-N-(piperidin-3-ylmethyl)aniline
SMILESCOc1cccc(NCC2CCCNC2)c1
InChIInChI=1S/C13H20N2O/c1-16-13-6-2-5-12(8-13)15-10-11-4-3-7-14-9-11/h2,5-6,8,11,14-15H,3-4,7,9-10H2,1H3
InChIKeyCCGQAOUXFOJHPJ-UHFFFAOYSA-N
XLogP2.11
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(piperidin-3-ylmethyl)aniline
CID 79018605
2-[3-(piperidin-3-ylmethylamino)phenoxy]acetonitrile
CID 80554089
3-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020017
3-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 75062155
4-methoxy-3,5-dimethyl-N-(piperidin-3-ylmethyl)aniline
CID 115209530
4-methoxy-N-(piperidin-3-ylmethyl)-3-propan-2-ylaniline
CID 115209479
4-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020016
N-(piperidin-3-ylmethyl)-3-(1,2,4-triazol-4-yl)aniline
CID 80553652
5-methoxy-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
CID 114600875
3-[2-(3-methoxyphenyl)propyl]piperidine
CID 105493506
N-(piperidin-3-ylmethyl)-3-(1H-pyrazol-5-yl)aniline
CID 80554258
N-(piperidin-3-ylmethyl)-3,4-dipropoxyaniline
CID 83961573

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(piperidin-3-ylmethyl)aniline?
The IUPAC name of 3-methoxy-N-(piperidin-3-ylmethyl)aniline (CID 79018540) is 3-methoxy-N-(piperidin-3-ylmethyl)aniline.
What is the SMILES notation for 3-methoxy-N-(piperidin-3-ylmethyl)aniline?
The canonical SMILES for 3-methoxy-N-(piperidin-3-ylmethyl)aniline is COc1cccc(NCC2CCCNC2)c1.
What is the InChIKey of 3-methoxy-N-(piperidin-3-ylmethyl)aniline?
The InChIKey is CCGQAOUXFOJHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-16-13-6-2-5-12(8-13)15-10-11-4-3-7-14-9-11/h2,5-6,8,11,14-15H,3-4,7,9-10H2,1H3.
What are the key properties of 3-methoxy-N-(piperidin-3-ylmethyl)aniline?
3-methoxy-N-(piperidin-3-ylmethyl)aniline has a molecular weight of 220.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(piperidin-3-ylmethyl)aniline is sourced from PubChem (CID 79018540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).