N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[(3R)-piperidin-3-yl]methanimine

C18H22N2O2 — CID 177313970

IUPACN-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[(3R)-piperidin-3-yl]methanimine
SMILESCON=C(c1ccc2cc(OC)ccc2c1)[C@@H]1CCCNC1
InChIInChI=1S/C18H22N2O2/c1-21-17-8-7-13-10-15(6-5-14(13)11-17)18(20-22-2)16-4-3-9-19-12-16/h5-8,10-11,16,19H,3-4,9,12H2,1-2H3/t16-/m1/s1
InChIKeyDPUQZEHGSRNWGY-MRXNPFEDSA-N
MW298.39 g/mol
LogP3.20
Rot. Bonds4

About N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[(3R)-piperidin-3-yl]methanimine

N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[(3R)-piperidin-3-yl]methanimine (PubChem CID 177313970) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[(3R)-piperidin-3-yl]methanimine.

Molecular Properties

Compound NameN-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[(3R)-piperidin-3-yl]methanimine
PubChem CID177313970
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[(3R)-piperidin-3-yl]methanimine
SMILESCON=C(c1ccc2cc(OC)ccc2c1)[C@@H]1CCCNC1
InChIInChI=1S/C18H22N2O2/c1-21-17-8-7-13-10-15(6-5-14(13)11-17)18(20-22-2)16-4-3-9-19-12-16/h5-8,10-11,16,19H,3-4,9,12H2,1-2H3/t16-/m1/s1
InChIKeyDPUQZEHGSRNWGY-MRXNPFEDSA-N
XLogP3.20
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-1-[(3R)-1-cyclopentylpiperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine
CID 172914172
cyclohexane;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone;prop-1-ene
CID 177314037
(E)-1-[1-(cyclopropylmethyl)piperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine
CID 177313915
(6-methoxynaphthalen-2-yl)-(1-piperidin-3-ylpiperidin-3-yl)methanone
CID 177314157
4-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]-N-methylbutanamide
CID 177314075
ethane;(E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-[4-(1H-pyrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine
CID 177314116
(2-amino-4-methoxyphenyl)-piperidin-3-ylmethanone
CID 105494724
(2-ethyl-4-methoxyphenyl)-piperidin-3-ylmethanone
CID 82552052
piperidin-3-yl-[6-(trifluoromethoxy)naphthalen-2-yl]methanone
CID 177314079
[3-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]cyclohexyl]urea
CID 177313885
N-cyclohexylpyridine-3-carboxamide;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone
CID 177314069
3-(4-methoxyphenyl)piperidine
CID 12937920

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[(3R)-piperidin-3-yl]methanimine?
The IUPAC name of N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[(3R)-piperidin-3-yl]methanimine (CID 177313970) is N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[(3R)-piperidin-3-yl]methanimine.
What is the SMILES notation for N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[(3R)-piperidin-3-yl]methanimine?
The canonical SMILES for N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[(3R)-piperidin-3-yl]methanimine is CON=C(c1ccc2cc(OC)ccc2c1)[C@@H]1CCCNC1.
What is the InChIKey of N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[(3R)-piperidin-3-yl]methanimine?
The InChIKey is DPUQZEHGSRNWGY-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-21-17-8-7-13-10-15(6-5-14(13)11-17)18(20-22-2)16-4-3-9-19-12-16/h5-8,10-11,16,19H,3-4,9,12H2,1-2H3/t16-/m1/s1.
What are the key properties of N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[(3R)-piperidin-3-yl]methanimine?
N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[(3R)-piperidin-3-yl]methanimine has a molecular weight of 298.39 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[(3R)-piperidin-3-yl]methanimine is sourced from PubChem (CID 177313970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).