2,6-dimethyl-6-piperidin-1-ylhept-4-en-2-ol

C14H27NO — CID 54023182

IUPAC2,6-dimethyl-6-piperidin-1-ylhept-4-en-2-ol
SMILESCC(C)(O)CC=CC(C)(C)N1CCCCC1
InChIInChI=1S/C14H27NO/c1-13(2,9-8-10-14(3,4)16)15-11-6-5-7-12-15/h8-9,16H,5-7,10-12H2,1-4H3
InChIKeyLAIZIHJQBAVRMC-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds4

About 2,6-dimethyl-6-piperidin-1-ylhept-4-en-2-ol

2,6-dimethyl-6-piperidin-1-ylhept-4-en-2-ol (PubChem CID 54023182) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2,6-dimethyl-6-piperidin-1-ylhept-4-en-2-ol.

Molecular Properties

Compound Name2,6-dimethyl-6-piperidin-1-ylhept-4-en-2-ol
PubChem CID54023182
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2,6-dimethyl-6-piperidin-1-ylhept-4-en-2-ol
SMILESCC(C)(O)CC=CC(C)(C)N1CCCCC1
InChIInChI=1S/C14H27NO/c1-13(2,9-8-10-14(3,4)16)15-11-6-5-7-12-15/h8-9,16H,5-7,10-12H2,1-4H3
InChIKeyLAIZIHJQBAVRMC-UHFFFAOYSA-N
XLogP2.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-6-piperidin-1-ylhept-4-en-2-ol?
The IUPAC name of 2,6-dimethyl-6-piperidin-1-ylhept-4-en-2-ol (CID 54023182) is 2,6-dimethyl-6-piperidin-1-ylhept-4-en-2-ol.
What is the SMILES notation for 2,6-dimethyl-6-piperidin-1-ylhept-4-en-2-ol?
The canonical SMILES for 2,6-dimethyl-6-piperidin-1-ylhept-4-en-2-ol is CC(C)(O)CC=CC(C)(C)N1CCCCC1.
What is the InChIKey of 2,6-dimethyl-6-piperidin-1-ylhept-4-en-2-ol?
The InChIKey is LAIZIHJQBAVRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-13(2,9-8-10-14(3,4)16)15-11-6-5-7-12-15/h8-9,16H,5-7,10-12H2,1-4H3.
What are the key properties of 2,6-dimethyl-6-piperidin-1-ylhept-4-en-2-ol?
2,6-dimethyl-6-piperidin-1-ylhept-4-en-2-ol has a molecular weight of 225.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-6-piperidin-1-ylhept-4-en-2-ol is sourced from PubChem (CID 54023182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).