(E)-N-ethoxy-1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]phenyl]methanimine

C22H29N3O2 — CID 11820832

IUPAC(E)-N-ethoxy-1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]phenyl]methanimine
SMILESCCO/N=C/c1ccc(OCCC2CCN(c3cccc(C)n3)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-3-27-23-17-20-7-9-21(10-8-20)26-16-13-19-11-14-25(15-12-19)22-6-4-5-18(2)24-22/h4-10,17,19H,3,11-16H2,1-2H3/b23-17+
InChIKeySFTZWFUCVPNOAK-HAVVHWLPSA-N
MW367.49 g/mol
LogP4.45
Rot. Bonds8

About (E)-N-ethoxy-1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]phenyl]methanimine

(E)-N-ethoxy-1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]phenyl]methanimine (PubChem CID 11820832) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is (E)-N-ethoxy-1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]phenyl]methanimine.

Molecular Properties

Compound Name(E)-N-ethoxy-1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]phenyl]methanimine
PubChem CID11820832
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name(E)-N-ethoxy-1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]phenyl]methanimine
SMILESCCO/N=C/c1ccc(OCCC2CCN(c3cccc(C)n3)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-3-27-23-17-20-7-9-21(10-8-20)26-16-13-19-11-14-25(15-12-19)22-6-4-5-18(2)24-22/h4-10,17,19H,3,11-16H2,1-2H3/b23-17+
InChIKeySFTZWFUCVPNOAK-HAVVHWLPSA-N
XLogP4.45
TPSA46.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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)-N-ethoxy-1-[4-[2-(1-pyridazin-3-ylpiperidin-4-yl)ethoxy]phenyl]methanimine
CID 11820871
(E)-N-ethoxy-1-[4-[2-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]methanimine
CID 11820876
(E)-1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-ethoxymethanimine
CID 11820838
2-[4-[2-[4-[(E)-ethoxyiminomethyl]phenoxy]ethyl]piperidin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 22024305
ethyl 2-[4-[2-[4-(ethoxyiminomethyl)phenoxy]ethyl]piperidin-1-yl]-1,3-thiazole-4-carboxylate
CID 5273126
1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine
CID 5273130
N-methoxy-1-[4-[2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]ethoxy]phenyl]methanimine
CID 87905257
(E)-1-[3-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine
CID 11820910
2-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethanamine
CID 63586487
4-[3-(1-pyridazin-3-ylpiperidin-4-yl)propoxy]benzaldehyde
CID 152770235
ethyl-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid
CID 67136421
2-methyl-6-[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]pyridine
CID 170363947

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethoxy-1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]phenyl]methanimine?
The IUPAC name of (E)-N-ethoxy-1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]phenyl]methanimine (CID 11820832) is (E)-N-ethoxy-1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]phenyl]methanimine.
What is the SMILES notation for (E)-N-ethoxy-1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]phenyl]methanimine?
The canonical SMILES for (E)-N-ethoxy-1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]phenyl]methanimine is CCO/N=C/c1ccc(OCCC2CCN(c3cccc(C)n3)CC2)cc1.
What is the InChIKey of (E)-N-ethoxy-1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]phenyl]methanimine?
The InChIKey is SFTZWFUCVPNOAK-HAVVHWLPSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-3-27-23-17-20-7-9-21(10-8-20)26-16-13-19-11-14-25(15-12-19)22-6-4-5-18(2)24-22/h4-10,17,19H,3,11-16H2,1-2H3/b23-17+.
What are the key properties of (E)-N-ethoxy-1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]phenyl]methanimine?
(E)-N-ethoxy-1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]phenyl]methanimine has a molecular weight of 367.49 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethoxy-1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]phenyl]methanimine is sourced from PubChem (CID 11820832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).