4-benzyliminocyclohexan-1-ol

C13H17NO — CID 19962580

IUPAC4-benzyliminocyclohexan-1-ol
SMILESOC1CCC(=NCc2ccccc2)CC1
InChIInChI=1S/C13H17NO/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-5,13,15H,6-10H2/b14-12-
InChIKeyBPLXBCVUBBVCCQ-OWBHPGMISA-N
MW203.29 g/mol
LogP2.56
Rot. Bonds2

About 4-benzyliminocyclohexan-1-ol

4-benzyliminocyclohexan-1-ol (PubChem CID 19962580) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 4-benzyliminocyclohexan-1-ol.

Molecular Properties

Compound Name4-benzyliminocyclohexan-1-ol
PubChem CID19962580
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name4-benzyliminocyclohexan-1-ol
SMILESOC1CCC(=NCc2ccccc2)CC1
InChIInChI=1S/C13H17NO/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-5,13,15H,6-10H2/b14-12-
InChIKeyBPLXBCVUBBVCCQ-OWBHPGMISA-N
XLogP2.56
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-benzyliminocyclohexan-1-ol?
The IUPAC name of 4-benzyliminocyclohexan-1-ol (CID 19962580) is 4-benzyliminocyclohexan-1-ol.
What is the SMILES notation for 4-benzyliminocyclohexan-1-ol?
The canonical SMILES for 4-benzyliminocyclohexan-1-ol is OC1CCC(=NCc2ccccc2)CC1.
What is the InChIKey of 4-benzyliminocyclohexan-1-ol?
The InChIKey is BPLXBCVUBBVCCQ-OWBHPGMISA-N. The full InChI is InChI=1S/C13H17NO/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-5,13,15H,6-10H2/b14-12-.
What are the key properties of 4-benzyliminocyclohexan-1-ol?
4-benzyliminocyclohexan-1-ol has a molecular weight of 203.29 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyliminocyclohexan-1-ol is sourced from PubChem (CID 19962580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).