(Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylidenehydrazine

C15H24N3O+ — CID 7250182

IUPAC(Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylidenehydrazine
SMILESCOc1ccc(/C(C)=N\N)cc1C[NH+]1CCCCC1
InChIInChI=1S/C15H23N3O/c1-12(17-16)13-6-7-15(19-2)14(10-13)11-18-8-4-3-5-9-18/h6-7,10H,3-5,8-9,11,16H2,1-2H3/p+1/b17-12-
InChIKeySBCJTKMWCXWAQL-ATVHPVEESA-O
MW262.38 g/mol
LogP0.95
Rot. Bonds4

About (Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylidenehydrazine

(Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylidenehydrazine (PubChem CID 7250182) has the molecular formula C15H24N3O+ and a molecular weight of 262.38 g/mol. Its IUPAC name is (Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylidenehydrazine.

Molecular Properties

Compound Name(Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylidenehydrazine
PubChem CID7250182
Molecular FormulaC15H24N3O+
Molecular Weight262.38 g/mol
Exact Mass262.19
IUPAC Name(Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylidenehydrazine
SMILESCOc1ccc(/C(C)=N\N)cc1C[NH+]1CCCCC1
InChIInChI=1S/C15H23N3O/c1-12(17-16)13-6-7-15(19-2)14(10-13)11-18-8-4-3-5-9-18/h6-7,10H,3-5,8-9,11,16H2,1-2H3/p+1/b17-12-
InChIKeySBCJTKMWCXWAQL-ATVHPVEESA-O
XLogP0.95
TPSA52.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylidenehydrazine
CID 7441652
4-fluoro-N-[(Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]aniline
CID 9076317
3,4-dimethoxy-N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]benzamide
CID 9232532
4-fluoro-N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]aniline
CID 9076321
N-[(Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]pyridin-2-amine
CID 9121744
1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-1-ium
CID 3949230
N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 9359533
N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-4-nitrobenzamide
CID 9014897
[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]urea
CID 9017280
2-(2-chlorophenoxy)-N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]acetamide
CID 9315310
N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883873
(E)-3-(4-methoxyphenyl)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one
CID 8830045

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylidenehydrazine?
The IUPAC name of (Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylidenehydrazine (CID 7250182) is (Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylidenehydrazine.
What is the SMILES notation for (Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylidenehydrazine?
The canonical SMILES for (Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylidenehydrazine is COc1ccc(/C(C)=N\N)cc1C[NH+]1CCCCC1.
What is the InChIKey of (Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylidenehydrazine?
The InChIKey is SBCJTKMWCXWAQL-ATVHPVEESA-O. The full InChI is InChI=1S/C15H23N3O/c1-12(17-16)13-6-7-15(19-2)14(10-13)11-18-8-4-3-5-9-18/h6-7,10H,3-5,8-9,11,16H2,1-2H3/p+1/b17-12-.
What are the key properties of (Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylidenehydrazine?
(Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylidenehydrazine has a molecular weight of 262.38 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylidenehydrazine is sourced from PubChem (CID 7250182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).