4-[4-(3-chlorophenyl)-4-hydroxypiperidin-1-yl]butanehydrazide

C15H22ClN3O2 — CID 54336798

IUPAC4-[4-(3-chlorophenyl)-4-hydroxypiperidin-1-yl]butanehydrazide
SMILESNNC(=O)CCCN1CCC(O)(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H22ClN3O2/c16-13-4-1-3-12(11-13)15(21)6-9-19(10-7-15)8-2-5-14(20)18-17/h1,3-4,11,21H,2,5-10,17H2,(H,18,20)
InChIKeyTWAPAVHVVSAQBQ-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.39
Rot. Bonds5

About 4-[4-(3-chlorophenyl)-4-hydroxypiperidin-1-yl]butanehydrazide

4-[4-(3-chlorophenyl)-4-hydroxypiperidin-1-yl]butanehydrazide (PubChem CID 54336798) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)-4-hydroxypiperidin-1-yl]butanehydrazide.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)-4-hydroxypiperidin-1-yl]butanehydrazide
PubChem CID54336798
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name4-[4-(3-chlorophenyl)-4-hydroxypiperidin-1-yl]butanehydrazide
SMILESNNC(=O)CCCN1CCC(O)(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H22ClN3O2/c16-13-4-1-3-12(11-13)15(21)6-9-19(10-7-15)8-2-5-14(20)18-17/h1,3-4,11,21H,2,5-10,17H2,(H,18,20)
InChIKeyTWAPAVHVVSAQBQ-UHFFFAOYSA-N
XLogP1.39
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chlorophenyl)-1-methylpiperidin-4-ol;ethane
CID 144802355
1-(4-chloro-2-methylphenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one
CID 20560278
methyl 4-(4-hydroxy-4-phenylpiperidin-1-yl)butanoate
CID 122138914
4-[4-(2-chlorophenyl)piperazin-1-yl]butanehydrazide
CID 63571743
4-[4-(3,5-dichlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 155511820
1-[4-(3-chlorophenyl)-1-(3-piperidin-1-ylpropyl)piperidin-4-yl]pentan-1-one
CID 3046533
4-(4,4-diethylpiperidin-1-yl)butanehydrazide
CID 63583162
4-(3-chlorophenyl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-ol
CID 169137807
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(3,4-dichlorophenyl)butan-1-one
CID 169436638
CID 10941657
CID 10941657
1-(4-fluorophenyl)-4-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one
CID 67760392
5-(3-chlorophenoxy)pentanehydrazide
CID 63575491

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)-4-hydroxypiperidin-1-yl]butanehydrazide?
The IUPAC name of 4-[4-(3-chlorophenyl)-4-hydroxypiperidin-1-yl]butanehydrazide (CID 54336798) is 4-[4-(3-chlorophenyl)-4-hydroxypiperidin-1-yl]butanehydrazide.
What is the SMILES notation for 4-[4-(3-chlorophenyl)-4-hydroxypiperidin-1-yl]butanehydrazide?
The canonical SMILES for 4-[4-(3-chlorophenyl)-4-hydroxypiperidin-1-yl]butanehydrazide is NNC(=O)CCCN1CCC(O)(c2cccc(Cl)c2)CC1.
What is the InChIKey of 4-[4-(3-chlorophenyl)-4-hydroxypiperidin-1-yl]butanehydrazide?
The InChIKey is TWAPAVHVVSAQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c16-13-4-1-3-12(11-13)15(21)6-9-19(10-7-15)8-2-5-14(20)18-17/h1,3-4,11,21H,2,5-10,17H2,(H,18,20).
What are the key properties of 4-[4-(3-chlorophenyl)-4-hydroxypiperidin-1-yl]butanehydrazide?
4-[4-(3-chlorophenyl)-4-hydroxypiperidin-1-yl]butanehydrazide has a molecular weight of 311.81 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chlorophenyl)-4-hydroxypiperidin-1-yl]butanehydrazide is sourced from PubChem (CID 54336798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).