(2S,3S,6S)-6-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]-1,2-dimethylpiperidin-3-ol

C17H27NO — CID 5281684

IUPAC(2S,3S,6S)-6-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]-1,2-dimethylpiperidin-3-ol
SMILESCC/C=C/C=C/C=C/C=C/[C@@H]1CC[C@H](O)[C@H](C)N1C
InChIInChI=1S/C17H27NO/c1-4-5-6-7-8-9-10-11-12-16-13-14-17(19)15(2)18(16)3/h5-12,15-17,19H,4,13-14H2,1-3H3/b6-5+,8-7+,10-9+,12-11+/t15-,16+,17-/m0/s1
InChIKeyUIYRNLNPZZABGX-JSWQWYJJSA-N
MW261.41 g/mol
LogP3.46
Rot. Bonds5

About (2S,3S,6S)-6-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]-1,2-dimethylpiperidin-3-ol

(2S,3S,6S)-6-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]-1,2-dimethylpiperidin-3-ol (PubChem CID 5281684) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (2S,3S,6S)-6-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]-1,2-dimethylpiperidin-3-ol.

Molecular Properties

Compound Name(2S,3S,6S)-6-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]-1,2-dimethylpiperidin-3-ol
PubChem CID5281684
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(2S,3S,6S)-6-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]-1,2-dimethylpiperidin-3-ol
SMILESCC/C=C/C=C/C=C/C=C/[C@@H]1CC[C@H](O)[C@H](C)N1C
InChIInChI=1S/C17H27NO/c1-4-5-6-7-8-9-10-11-12-16-13-14-17(19)15(2)18(16)3/h5-12,15-17,19H,4,13-14H2,1-3H3/b6-5+,8-7+,10-9+,12-11+/t15-,16+,17-/m0/s1
InChIKeyUIYRNLNPZZABGX-JSWQWYJJSA-N
XLogP3.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,6S)-6-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]-1,2-dimethylpiperidin-3-ol?
The IUPAC name of (2S,3S,6S)-6-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]-1,2-dimethylpiperidin-3-ol (CID 5281684) is (2S,3S,6S)-6-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]-1,2-dimethylpiperidin-3-ol.
What is the SMILES notation for (2S,3S,6S)-6-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]-1,2-dimethylpiperidin-3-ol?
The canonical SMILES for (2S,3S,6S)-6-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]-1,2-dimethylpiperidin-3-ol is CC/C=C/C=C/C=C/C=C/[C@@H]1CC[C@H](O)[C@H](C)N1C.
What is the InChIKey of (2S,3S,6S)-6-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]-1,2-dimethylpiperidin-3-ol?
The InChIKey is UIYRNLNPZZABGX-JSWQWYJJSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-5-6-7-8-9-10-11-12-16-13-14-17(19)15(2)18(16)3/h5-12,15-17,19H,4,13-14H2,1-3H3/b6-5+,8-7+,10-9+,12-11+/t15-,16+,17-/m0/s1.
What are the key properties of (2S,3S,6S)-6-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]-1,2-dimethylpiperidin-3-ol?
(2S,3S,6S)-6-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]-1,2-dimethylpiperidin-3-ol has a molecular weight of 261.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,6S)-6-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]-1,2-dimethylpiperidin-3-ol is sourced from PubChem (CID 5281684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).