(5-chloro-2-hydrazinylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone

C14H20ClN3O2 — CID 63977702

IUPAC(5-chloro-2-hydrazinylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2cc(Cl)ccc2NN)CC1
InChIInChI=1S/C14H20ClN3O2/c1-20-9-10-4-6-18(7-5-10)14(19)12-8-11(15)2-3-13(12)17-16/h2-3,8,10,17H,4-7,9,16H2,1H3
InChIKeyIWMRLCMEQIONEO-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.12
Rot. Bonds4

About (5-chloro-2-hydrazinylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone

(5-chloro-2-hydrazinylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 63977702) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is (5-chloro-2-hydrazinylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-hydrazinylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID63977702
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name(5-chloro-2-hydrazinylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2cc(Cl)ccc2NN)CC1
InChIInChI=1S/C14H20ClN3O2/c1-20-9-10-4-6-18(7-5-10)14(19)12-8-11(15)2-3-13(12)17-16/h2-3,8,10,17H,4-7,9,16H2,1H3
InChIKeyIWMRLCMEQIONEO-UHFFFAOYSA-N
XLogP2.12
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-chloro-2-hydrazinylphenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 113418780
(5-chloro-2-hydrazinylphenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 62237710
(5-chloro-2-hydrazinylphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82685064
[5-chloro-2-(ethylamino)phenyl]-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103529941
azepan-1-yl-(5-chloro-2-hydrazinylphenyl)methanone
CID 62248828
(5-chloro-2-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150855
(3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 110869857
(3,5-difluoro-4-hydrazinylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63978081
N-(5-chloro-2-methoxyphenyl)-4-(methoxymethyl)piperidine-1-carboxamide
CID 121091740
[4-(2-aminoethyl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone
CID 82883937
(2,5-dichlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551581
(2-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977657

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-hydrazinylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-chloro-2-hydrazinylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone (CID 63977702) is (5-chloro-2-hydrazinylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-hydrazinylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-hydrazinylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone is COCC1CCN(C(=O)c2cc(Cl)ccc2NN)CC1.
What is the InChIKey of (5-chloro-2-hydrazinylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is IWMRLCMEQIONEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-20-9-10-4-6-18(7-5-10)14(19)12-8-11(15)2-3-13(12)17-16/h2-3,8,10,17H,4-7,9,16H2,1H3.
What are the key properties of (5-chloro-2-hydrazinylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
(5-chloro-2-hydrazinylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 297.79 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-hydrazinylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 63977702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).