3,7-dimethyl-2-piperidin-1-yloct-6-ene-1,3-diol

C15H29NO2 — CID 19928738

IUPAC3,7-dimethyl-2-piperidin-1-yloct-6-ene-1,3-diol
SMILESCC(C)=CCCC(C)(O)C(CO)N1CCCCC1
InChIInChI=1S/C15H29NO2/c1-13(2)8-7-9-15(3,18)14(12-17)16-10-5-4-6-11-16/h8,14,17-18H,4-7,9-12H2,1-3H3
InChIKeyWZVLGMDFIRCDRR-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.33
Rot. Bonds6

About 3,7-dimethyl-2-piperidin-1-yloct-6-ene-1,3-diol

3,7-dimethyl-2-piperidin-1-yloct-6-ene-1,3-diol (PubChem CID 19928738) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 3,7-dimethyl-2-piperidin-1-yloct-6-ene-1,3-diol.

Molecular Properties

Compound Name3,7-dimethyl-2-piperidin-1-yloct-6-ene-1,3-diol
PubChem CID19928738
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name3,7-dimethyl-2-piperidin-1-yloct-6-ene-1,3-diol
SMILESCC(C)=CCCC(C)(O)C(CO)N1CCCCC1
InChIInChI=1S/C15H29NO2/c1-13(2)8-7-9-15(3,18)14(12-17)16-10-5-4-6-11-16/h8,14,17-18H,4-7,9-12H2,1-3H3
InChIKeyWZVLGMDFIRCDRR-UHFFFAOYSA-N
XLogP2.33
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 13933182
CID 13933182
CID 17884883
CID 17884883
CID 19880290
CID 19880290
CID 19928726
CID 19928726
CID 19928727
CID 19928727
CID 19928730
CID 19928730
CID 19928740
CID 19928740
CID 19928742
CID 19928742
CID 24840714
CID 24840714
CID 89297578
CID 89297578
CID 130467443
CID 130467443
CID 13356332
CID 13356332

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-2-piperidin-1-yloct-6-ene-1,3-diol?
The IUPAC name of 3,7-dimethyl-2-piperidin-1-yloct-6-ene-1,3-diol (CID 19928738) is 3,7-dimethyl-2-piperidin-1-yloct-6-ene-1,3-diol.
What is the SMILES notation for 3,7-dimethyl-2-piperidin-1-yloct-6-ene-1,3-diol?
The canonical SMILES for 3,7-dimethyl-2-piperidin-1-yloct-6-ene-1,3-diol is CC(C)=CCCC(C)(O)C(CO)N1CCCCC1.
What is the InChIKey of 3,7-dimethyl-2-piperidin-1-yloct-6-ene-1,3-diol?
The InChIKey is WZVLGMDFIRCDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-13(2)8-7-9-15(3,18)14(12-17)16-10-5-4-6-11-16/h8,14,17-18H,4-7,9-12H2,1-3H3.
What are the key properties of 3,7-dimethyl-2-piperidin-1-yloct-6-ene-1,3-diol?
3,7-dimethyl-2-piperidin-1-yloct-6-ene-1,3-diol has a molecular weight of 255.40 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-2-piperidin-1-yloct-6-ene-1,3-diol is sourced from PubChem (CID 19928738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).