4-benzyl-1-(5-chloro-3-hydrazinyl-2-methylphenyl)piperidin-4-ol

C19H24ClN3O — CID 145076019

IUPAC4-benzyl-1-(5-chloro-3-hydrazinyl-2-methylphenyl)piperidin-4-ol
SMILESCc1c(NN)cc(Cl)cc1N1CCC(O)(Cc2ccccc2)CC1
InChIInChI=1S/C19H24ClN3O/c1-14-17(22-21)11-16(20)12-18(14)23-9-7-19(24,8-10-23)13-15-5-3-2-4-6-15/h2-6,11-12,22,24H,7-10,13,21H2,1H3
InChIKeyKDNDQZUZHSBQDF-UHFFFAOYSA-N
MW345.87 g/mol
LogP3.51
Rot. Bonds4

About 4-benzyl-1-(5-chloro-3-hydrazinyl-2-methylphenyl)piperidin-4-ol

4-benzyl-1-(5-chloro-3-hydrazinyl-2-methylphenyl)piperidin-4-ol (PubChem CID 145076019) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is 4-benzyl-1-(5-chloro-3-hydrazinyl-2-methylphenyl)piperidin-4-ol.

Molecular Properties

Compound Name4-benzyl-1-(5-chloro-3-hydrazinyl-2-methylphenyl)piperidin-4-ol
PubChem CID145076019
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name4-benzyl-1-(5-chloro-3-hydrazinyl-2-methylphenyl)piperidin-4-ol
SMILESCc1c(NN)cc(Cl)cc1N1CCC(O)(Cc2ccccc2)CC1
InChIInChI=1S/C19H24ClN3O/c1-14-17(22-21)11-16(20)12-18(14)23-9-7-19(24,8-10-23)13-15-5-3-2-4-6-15/h2-6,11-12,22,24H,7-10,13,21H2,1H3
InChIKeyKDNDQZUZHSBQDF-UHFFFAOYSA-N
XLogP3.51
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.51
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(5-chloro-3-hydrazinyl-2-methylphenyl)piperidin-4-ol?
The IUPAC name of 4-benzyl-1-(5-chloro-3-hydrazinyl-2-methylphenyl)piperidin-4-ol (CID 145076019) is 4-benzyl-1-(5-chloro-3-hydrazinyl-2-methylphenyl)piperidin-4-ol.
What is the SMILES notation for 4-benzyl-1-(5-chloro-3-hydrazinyl-2-methylphenyl)piperidin-4-ol?
The canonical SMILES for 4-benzyl-1-(5-chloro-3-hydrazinyl-2-methylphenyl)piperidin-4-ol is Cc1c(NN)cc(Cl)cc1N1CCC(O)(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-(5-chloro-3-hydrazinyl-2-methylphenyl)piperidin-4-ol?
The InChIKey is KDNDQZUZHSBQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-14-17(22-21)11-16(20)12-18(14)23-9-7-19(24,8-10-23)13-15-5-3-2-4-6-15/h2-6,11-12,22,24H,7-10,13,21H2,1H3.
What are the key properties of 4-benzyl-1-(5-chloro-3-hydrazinyl-2-methylphenyl)piperidin-4-ol?
4-benzyl-1-(5-chloro-3-hydrazinyl-2-methylphenyl)piperidin-4-ol has a molecular weight of 345.87 g/mol, XLogP of 3.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(5-chloro-3-hydrazinyl-2-methylphenyl)piperidin-4-ol is sourced from PubChem (CID 145076019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).