3,7-dimethyl-4-piperidin-1-yloct-6-en-3-ol

C15H29NO — CID 13356332

IUPAC3,7-dimethyl-4-piperidin-1-yloct-6-en-3-ol
SMILESCCC(C)(O)C(CC=C(C)C)N1CCCCC1
InChIInChI=1S/C15H29NO/c1-5-15(4,17)14(10-9-13(2)3)16-11-7-6-8-12-16/h9,14,17H,5-8,10-12H2,1-4H3
InChIKeyCQMGDSRWMOIGRA-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds5

About 3,7-dimethyl-4-piperidin-1-yloct-6-en-3-ol

3,7-dimethyl-4-piperidin-1-yloct-6-en-3-ol (PubChem CID 13356332) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 3,7-dimethyl-4-piperidin-1-yloct-6-en-3-ol.

Molecular Properties

Compound Name3,7-dimethyl-4-piperidin-1-yloct-6-en-3-ol
PubChem CID13356332
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name3,7-dimethyl-4-piperidin-1-yloct-6-en-3-ol
SMILESCCC(C)(O)C(CC=C(C)C)N1CCCCC1
InChIInChI=1S/C15H29NO/c1-5-15(4,17)14(10-9-13(2)3)16-11-7-6-8-12-16/h9,14,17H,5-8,10-12H2,1-4H3
InChIKeyCQMGDSRWMOIGRA-UHFFFAOYSA-N
XLogP3.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
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 3,7-dimethyl-4-piperidin-1-yloct-6-en-3-ol?
The IUPAC name of 3,7-dimethyl-4-piperidin-1-yloct-6-en-3-ol (CID 13356332) is 3,7-dimethyl-4-piperidin-1-yloct-6-en-3-ol.
What is the SMILES notation for 3,7-dimethyl-4-piperidin-1-yloct-6-en-3-ol?
The canonical SMILES for 3,7-dimethyl-4-piperidin-1-yloct-6-en-3-ol is CCC(C)(O)C(CC=C(C)C)N1CCCCC1.
What is the InChIKey of 3,7-dimethyl-4-piperidin-1-yloct-6-en-3-ol?
The InChIKey is CQMGDSRWMOIGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-5-15(4,17)14(10-9-13(2)3)16-11-7-6-8-12-16/h9,14,17H,5-8,10-12H2,1-4H3.
What are the key properties of 3,7-dimethyl-4-piperidin-1-yloct-6-en-3-ol?
3,7-dimethyl-4-piperidin-1-yloct-6-en-3-ol has a molecular weight of 239.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-4-piperidin-1-yloct-6-en-3-ol is sourced from PubChem (CID 13356332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).