(6R)-6,10-dimethyl-1-piperidin-1-ylundec-9-en-1-one

C18H33NO — CID 166447396

IUPAC(6R)-6,10-dimethyl-1-piperidin-1-ylundec-9-en-1-one
SMILESCC(C)=CCC[C@H](C)CCCCC(=O)N1CCCCC1
InChIInChI=1S/C18H33NO/c1-16(2)10-9-12-17(3)11-5-6-13-18(20)19-14-7-4-8-15-19/h10,17H,4-9,11-15H2,1-3H3/t17-/m1/s1
InChIKeyNOJPVHACWUYMEK-QGZVFWFLSA-N
MW279.47 g/mol
LogP4.94
Rot. Bonds8

About (6R)-6,10-dimethyl-1-piperidin-1-ylundec-9-en-1-one

(6R)-6,10-dimethyl-1-piperidin-1-ylundec-9-en-1-one (PubChem CID 166447396) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is (6R)-6,10-dimethyl-1-piperidin-1-ylundec-9-en-1-one.

Molecular Properties

Compound Name(6R)-6,10-dimethyl-1-piperidin-1-ylundec-9-en-1-one
PubChem CID166447396
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name(6R)-6,10-dimethyl-1-piperidin-1-ylundec-9-en-1-one
SMILESCC(C)=CCC[C@H](C)CCCCC(=O)N1CCCCC1
InChIInChI=1S/C18H33NO/c1-16(2)10-9-12-17(3)11-5-6-13-18(20)19-14-7-4-8-15-19/h10,17H,4-9,11-15H2,1-3H3/t17-/m1/s1
InChIKeyNOJPVHACWUYMEK-QGZVFWFLSA-N
XLogP4.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R)-6,10-dimethyl-1-piperidin-1-ylundec-9-en-1-one?
The IUPAC name of (6R)-6,10-dimethyl-1-piperidin-1-ylundec-9-en-1-one (CID 166447396) is (6R)-6,10-dimethyl-1-piperidin-1-ylundec-9-en-1-one.
What is the SMILES notation for (6R)-6,10-dimethyl-1-piperidin-1-ylundec-9-en-1-one?
The canonical SMILES for (6R)-6,10-dimethyl-1-piperidin-1-ylundec-9-en-1-one is CC(C)=CCC[C@H](C)CCCCC(=O)N1CCCCC1.
What is the InChIKey of (6R)-6,10-dimethyl-1-piperidin-1-ylundec-9-en-1-one?
The InChIKey is NOJPVHACWUYMEK-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H33NO/c1-16(2)10-9-12-17(3)11-5-6-13-18(20)19-14-7-4-8-15-19/h10,17H,4-9,11-15H2,1-3H3/t17-/m1/s1.
What are the key properties of (6R)-6,10-dimethyl-1-piperidin-1-ylundec-9-en-1-one?
(6R)-6,10-dimethyl-1-piperidin-1-ylundec-9-en-1-one has a molecular weight of 279.47 g/mol, XLogP of 4.94, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6,10-dimethyl-1-piperidin-1-ylundec-9-en-1-one is sourced from PubChem (CID 166447396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).