(3,4-dimethoxyphenyl)-piperidin-1-ylmethanimine

C14H20N2O2 — CID 63179479

IUPAC(3,4-dimethoxyphenyl)-piperidin-1-ylmethanimine
SMILES[H]/N=C(/c1ccc(OC)c(OC)c1)N1CCCCC1
InChIInChI=1S/C14H20N2O2/c1-17-12-7-6-11(10-13(12)18-2)14(15)16-8-4-3-5-9-16/h6-7,10,15H,3-5,8-9H2,1-2H3/b15-14-
InChIKeyJMAIJOAKHDBHQY-PFONDFGASA-N
MW248.33 g/mol
LogP2.52
Rot. Bonds3

About (3,4-dimethoxyphenyl)-piperidin-1-ylmethanimine

(3,4-dimethoxyphenyl)-piperidin-1-ylmethanimine (PubChem CID 63179479) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-piperidin-1-ylmethanimine.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-piperidin-1-ylmethanimine
PubChem CID63179479
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(3,4-dimethoxyphenyl)-piperidin-1-ylmethanimine
SMILES[H]/N=C(/c1ccc(OC)c(OC)c1)N1CCCCC1
InChIInChI=1S/C14H20N2O2/c1-17-12-7-6-11(10-13(12)18-2)14(15)16-8-4-3-5-9-16/h6-7,10,15H,3-5,8-9H2,1-2H3/b15-14-
InChIKeyJMAIJOAKHDBHQY-PFONDFGASA-N
XLogP2.52
TPSA45.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl)-pyrrolidin-1-ylmethanimine
CID 11788947
(3,4-dimethoxyphenyl)-pyrrolidin-1-ylmethanone;N-methoxy-N-methylformamide
CID 144580065
(3-bromophenyl)-pyrrolidin-1-ylmethanimine
CID 62047755
3,4-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide
CID 110349066
3,4-dimethoxy-N,N-dimethylbenzenecarboximidamide
CID 63181250
(5-methylthiophen-3-yl)-piperidin-1-ylmethanimine
CID 130835239
azocan-1-yl-[3-methoxy-4-(2-methylpropoxy)phenyl]methanone
CID 112793157
azepan-1-yl-(3-methoxy-4-phenylmethoxyphenyl)methanethione
CID 7369964
3-[2-ethoxy-4-(pyrrolidine-1-carboximidoyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 68867028
2-nitro-4-(pyrrolidine-1-carboximidoyl)phenol
CID 135965167
azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608
(1-methylpyrazol-4-yl)-piperidin-1-ylmethanimine
CID 65198115

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-piperidin-1-ylmethanimine?
The IUPAC name of (3,4-dimethoxyphenyl)-piperidin-1-ylmethanimine (CID 63179479) is (3,4-dimethoxyphenyl)-piperidin-1-ylmethanimine.
What is the SMILES notation for (3,4-dimethoxyphenyl)-piperidin-1-ylmethanimine?
The canonical SMILES for (3,4-dimethoxyphenyl)-piperidin-1-ylmethanimine is [H]/N=C(/c1ccc(OC)c(OC)c1)N1CCCCC1.
What is the InChIKey of (3,4-dimethoxyphenyl)-piperidin-1-ylmethanimine?
The InChIKey is JMAIJOAKHDBHQY-PFONDFGASA-N. The full InChI is InChI=1S/C14H20N2O2/c1-17-12-7-6-11(10-13(12)18-2)14(15)16-8-4-3-5-9-16/h6-7,10,15H,3-5,8-9H2,1-2H3/b15-14-.
What are the key properties of (3,4-dimethoxyphenyl)-piperidin-1-ylmethanimine?
(3,4-dimethoxyphenyl)-piperidin-1-ylmethanimine has a molecular weight of 248.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-piperidin-1-ylmethanimine is sourced from PubChem (CID 63179479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).