(2S,3R,6S)-6-deca-1,3,5-trienyl-2-methylpiperidin-3-ol

C16H27NO — CID 162983181

IUPAC(2S,3R,6S)-6-deca-1,3,5-trienyl-2-methylpiperidin-3-ol
SMILESCCCCC=CC=CC=C[C@@H]1CC[C@@H](O)[C@H](C)N1
InChIInChI=1S/C16H27NO/c1-3-4-5-6-7-8-9-10-11-15-12-13-16(18)14(2)17-15/h6-11,14-18H,3-5,12-13H2,1-2H3/t14-,15+,16+/m0/s1
InChIKeyLSCWHIBYDGDOLC-ARFHVFGLSA-N
MW249.40 g/mol
LogP3.35
Rot. Bonds6

About (2S,3R,6S)-6-deca-1,3,5-trienyl-2-methylpiperidin-3-ol

(2S,3R,6S)-6-deca-1,3,5-trienyl-2-methylpiperidin-3-ol (PubChem CID 162983181) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (2S,3R,6S)-6-deca-1,3,5-trienyl-2-methylpiperidin-3-ol.

Molecular Properties

Compound Name(2S,3R,6S)-6-deca-1,3,5-trienyl-2-methylpiperidin-3-ol
PubChem CID162983181
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(2S,3R,6S)-6-deca-1,3,5-trienyl-2-methylpiperidin-3-ol
SMILESCCCCC=CC=CC=C[C@@H]1CC[C@@H](O)[C@H](C)N1
InChIInChI=1S/C16H27NO/c1-3-4-5-6-7-8-9-10-11-15-12-13-16(18)14(2)17-15/h6-11,14-18H,3-5,12-13H2,1-2H3/t14-,15+,16+/m0/s1
InChIKeyLSCWHIBYDGDOLC-ARFHVFGLSA-N
XLogP3.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Microgrewiapine A
CID 71576920
Pseudodistomin D
CID 10708961
Microgrewiapine B
CID 71578971
Microgrewiapine C
CID 71578972
(2R,4R,5S)-5-amino-2-[(6E,8E)-trideca-6,8-dienyl]piperidin-4-ol
CID 6450518
(2R,4R)-2-[(1E,3E)-penta-1,3-dienyl]piperidin-4-ol
CID 10773405
Pseudodistomin F
CID 10710717
Pseudodistomin C
CID 11723443
Microcosamine A
CID 25140000
Cryptophorine
CID 5281684
Micropine
CID 42608372
Pseudodistomin E
CID 10424557

Frequently Asked Questions

What is the IUPAC name of (2S,3R,6S)-6-deca-1,3,5-trienyl-2-methylpiperidin-3-ol?
The IUPAC name of (2S,3R,6S)-6-deca-1,3,5-trienyl-2-methylpiperidin-3-ol (CID 162983181) is (2S,3R,6S)-6-deca-1,3,5-trienyl-2-methylpiperidin-3-ol.
What is the SMILES notation for (2S,3R,6S)-6-deca-1,3,5-trienyl-2-methylpiperidin-3-ol?
The canonical SMILES for (2S,3R,6S)-6-deca-1,3,5-trienyl-2-methylpiperidin-3-ol is CCCCC=CC=CC=C[C@@H]1CC[C@@H](O)[C@H](C)N1.
What is the InChIKey of (2S,3R,6S)-6-deca-1,3,5-trienyl-2-methylpiperidin-3-ol?
The InChIKey is LSCWHIBYDGDOLC-ARFHVFGLSA-N. The full InChI is InChI=1S/C16H27NO/c1-3-4-5-6-7-8-9-10-11-15-12-13-16(18)14(2)17-15/h6-11,14-18H,3-5,12-13H2,1-2H3/t14-,15+,16+/m0/s1.
What are the key properties of (2S,3R,6S)-6-deca-1,3,5-trienyl-2-methylpiperidin-3-ol?
(2S,3R,6S)-6-deca-1,3,5-trienyl-2-methylpiperidin-3-ol has a molecular weight of 249.40 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6S)-6-deca-1,3,5-trienyl-2-methylpiperidin-3-ol is sourced from PubChem (CID 162983181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).