(Z)-(1,4,5-trimethylpiperidin-3-ylidene)methanol

C9H17NO — CID 166940474

IUPAC(Z)-(1,4,5-trimethylpiperidin-3-ylidene)methanol
SMILESCC1CN(C)C/C(=C\O)C1C
InChIInChI=1S/C9H17NO/c1-7-4-10(3)5-9(6-11)8(7)2/h6-8,11H,4-5H2,1-3H3/b9-6+
InChIKeyUDINSAXZGKROIQ-RMKNXTFCSA-N
MW155.24 g/mol
LogP1.65
Rot. Bonds

About (Z)-(1,4,5-trimethylpiperidin-3-ylidene)methanol

(Z)-(1,4,5-trimethylpiperidin-3-ylidene)methanol (PubChem CID 166940474) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (Z)-(1,4,5-trimethylpiperidin-3-ylidene)methanol.

Molecular Properties

Compound Name(Z)-(1,4,5-trimethylpiperidin-3-ylidene)methanol
PubChem CID166940474
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(Z)-(1,4,5-trimethylpiperidin-3-ylidene)methanol
SMILESCC1CN(C)C/C(=C\O)C1C
InChIInChI=1S/C9H17NO/c1-7-4-10(3)5-9(6-11)8(7)2/h6-8,11H,4-5H2,1-3H3/b9-6+
InChIKeyUDINSAXZGKROIQ-RMKNXTFCSA-N
XLogP1.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-(1,4,5-trimethylpiperidin-3-ylidene)methanol?
The IUPAC name of (Z)-(1,4,5-trimethylpiperidin-3-ylidene)methanol (CID 166940474) is (Z)-(1,4,5-trimethylpiperidin-3-ylidene)methanol.
What is the SMILES notation for (Z)-(1,4,5-trimethylpiperidin-3-ylidene)methanol?
The canonical SMILES for (Z)-(1,4,5-trimethylpiperidin-3-ylidene)methanol is CC1CN(C)C/C(=C\O)C1C.
What is the InChIKey of (Z)-(1,4,5-trimethylpiperidin-3-ylidene)methanol?
The InChIKey is UDINSAXZGKROIQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H17NO/c1-7-4-10(3)5-9(6-11)8(7)2/h6-8,11H,4-5H2,1-3H3/b9-6+.
What are the key properties of (Z)-(1,4,5-trimethylpiperidin-3-ylidene)methanol?
(Z)-(1,4,5-trimethylpiperidin-3-ylidene)methanol has a molecular weight of 155.24 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(1,4,5-trimethylpiperidin-3-ylidene)methanol is sourced from PubChem (CID 166940474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).