(4Z)-4-hydroxyimino-2,6-bis(4-methylphenyl)piperidin-3-ol

C19H22N2O2 — CID 43831630

IUPAC(4Z)-4-hydroxyimino-2,6-bis(4-methylphenyl)piperidin-3-ol
SMILESCc1ccc(C2C/C(=N/O)C(O)C(c3ccc(C)cc3)N2)cc1
InChIInChI=1S/C19H22N2O2/c1-12-3-7-14(8-4-12)16-11-17(21-23)19(22)18(20-16)15-9-5-13(2)6-10-15/h3-10,16,18-20,22-23H,11H2,1-2H3/b21-17-
InChIKeyAYRSPESYEXGMNA-FXBPSFAMSA-N
MW310.40 g/mol
LogP3.27
Rot. Bonds2

About (4Z)-4-hydroxyimino-2,6-bis(4-methylphenyl)piperidin-3-ol

(4Z)-4-hydroxyimino-2,6-bis(4-methylphenyl)piperidin-3-ol (PubChem CID 43831630) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (4Z)-4-hydroxyimino-2,6-bis(4-methylphenyl)piperidin-3-ol.

Molecular Properties

Compound Name(4Z)-4-hydroxyimino-2,6-bis(4-methylphenyl)piperidin-3-ol
PubChem CID43831630
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(4Z)-4-hydroxyimino-2,6-bis(4-methylphenyl)piperidin-3-ol
SMILESCc1ccc(C2C/C(=N/O)C(O)C(c3ccc(C)cc3)N2)cc1
InChIInChI=1S/C19H22N2O2/c1-12-3-7-14(8-4-12)16-11-17(21-23)19(22)18(20-16)15-9-5-13(2)6-10-15/h3-10,16,18-20,22-23H,11H2,1-2H3/b21-17-
InChIKeyAYRSPESYEXGMNA-FXBPSFAMSA-N
XLogP3.27
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 (4Z)-4-hydroxyimino-2,6-bis(4-methylphenyl)piperidin-3-ol?
The IUPAC name of (4Z)-4-hydroxyimino-2,6-bis(4-methylphenyl)piperidin-3-ol (CID 43831630) is (4Z)-4-hydroxyimino-2,6-bis(4-methylphenyl)piperidin-3-ol.
What is the SMILES notation for (4Z)-4-hydroxyimino-2,6-bis(4-methylphenyl)piperidin-3-ol?
The canonical SMILES for (4Z)-4-hydroxyimino-2,6-bis(4-methylphenyl)piperidin-3-ol is Cc1ccc(C2C/C(=N/O)C(O)C(c3ccc(C)cc3)N2)cc1.
What is the InChIKey of (4Z)-4-hydroxyimino-2,6-bis(4-methylphenyl)piperidin-3-ol?
The InChIKey is AYRSPESYEXGMNA-FXBPSFAMSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-12-3-7-14(8-4-12)16-11-17(21-23)19(22)18(20-16)15-9-5-13(2)6-10-15/h3-10,16,18-20,22-23H,11H2,1-2H3/b21-17-.
What are the key properties of (4Z)-4-hydroxyimino-2,6-bis(4-methylphenyl)piperidin-3-ol?
(4Z)-4-hydroxyimino-2,6-bis(4-methylphenyl)piperidin-3-ol has a molecular weight of 310.40 g/mol, XLogP of 3.27, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-hydroxyimino-2,6-bis(4-methylphenyl)piperidin-3-ol is sourced from PubChem (CID 43831630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).