(5-chloro-2-hydrazinylphenyl)-(2-propylpiperidin-1-yl)methanone

C15H22ClN3O — CID 83061992

IUPAC(5-chloro-2-hydrazinylphenyl)-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)c1cc(Cl)ccc1NN
InChIInChI=1S/C15H22ClN3O/c1-2-5-12-6-3-4-9-19(12)15(20)13-10-11(16)7-8-14(13)18-17/h7-8,10,12,18H,2-6,9,17H2,1H3
InChIKeyAGAUMWBVLCLYNH-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.42
Rot. Bonds4

About (5-chloro-2-hydrazinylphenyl)-(2-propylpiperidin-1-yl)methanone

(5-chloro-2-hydrazinylphenyl)-(2-propylpiperidin-1-yl)methanone (PubChem CID 83061992) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is (5-chloro-2-hydrazinylphenyl)-(2-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-hydrazinylphenyl)-(2-propylpiperidin-1-yl)methanone
PubChem CID83061992
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name(5-chloro-2-hydrazinylphenyl)-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)c1cc(Cl)ccc1NN
InChIInChI=1S/C15H22ClN3O/c1-2-5-12-6-3-4-9-19(12)15(20)13-10-11(16)7-8-14(13)18-17/h7-8,10,12,18H,2-6,9,17H2,1H3
InChIKeyAGAUMWBVLCLYNH-UHFFFAOYSA-N
XLogP3.42
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(ethylamino)phenyl]-(2-propylpiperidin-1-yl)methanone
CID 83045411
[5-chloro-2-(ethylamino)phenyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62166978
(5-chloro-2-nitrophenyl)-(2-propylpiperidin-1-yl)methanone
CID 83053352
[5-chloro-2-(ethylamino)phenyl]-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 62178255
[5-chloro-2-(methylamino)phenyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116637953
(2-fluoro-5-sulfanylphenyl)-(2-propylpiperidin-1-yl)methanone
CID 107033947
(5-chloro-2-hydrazinylphenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 113418780
(2,4-diaminophenyl)-(2-propylpiperidin-1-yl)methanone
CID 83052111
(2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 5060806
(2-chloro-6-hydrazinyl-4-pyridinyl)-(2-propylpiperidin-1-yl)methanone
CID 83061599
[2-(2-bromoethyl)piperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 80665142
3-[1-(5-chloro-2-fluorobenzoyl)piperidin-2-yl]propanoic acid
CID 62217106

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-hydrazinylphenyl)-(2-propylpiperidin-1-yl)methanone?
The IUPAC name of (5-chloro-2-hydrazinylphenyl)-(2-propylpiperidin-1-yl)methanone (CID 83061992) is (5-chloro-2-hydrazinylphenyl)-(2-propylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-hydrazinylphenyl)-(2-propylpiperidin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-hydrazinylphenyl)-(2-propylpiperidin-1-yl)methanone is CCCC1CCCCN1C(=O)c1cc(Cl)ccc1NN.
What is the InChIKey of (5-chloro-2-hydrazinylphenyl)-(2-propylpiperidin-1-yl)methanone?
The InChIKey is AGAUMWBVLCLYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-2-5-12-6-3-4-9-19(12)15(20)13-10-11(16)7-8-14(13)18-17/h7-8,10,12,18H,2-6,9,17H2,1H3.
What are the key properties of (5-chloro-2-hydrazinylphenyl)-(2-propylpiperidin-1-yl)methanone?
(5-chloro-2-hydrazinylphenyl)-(2-propylpiperidin-1-yl)methanone has a molecular weight of 295.81 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-hydrazinylphenyl)-(2-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 83061992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).