(2R,4R,5S)-5-amino-2-[(6E,8E)-dodeca-6,8-dienyl]piperidin-4-ol

C17H32N2O — CID 163107178

IUPAC(2R,4R,5S)-5-amino-2-[(6E,8E)-dodeca-6,8-dienyl]piperidin-4-ol
SMILESCCC/C=C/C=C/CCCCC[C@@H]1C[C@@H](O)[C@@H](N)CN1
InChIInChI=1S/C17H32N2O/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-17(20)16(18)14-19-15/h4-7,15-17,19-20H,2-3,8-14,18H2,1H3/b5-4+,7-6+/t15-,16+,17-/m1/s1
InChIKeyALPPRTQKVXDWNZ-FGFBNHJHSA-N
MW280.46 g/mol
LogP2.90
Rot. Bonds9

About (2R,4R,5S)-5-amino-2-[(6E,8E)-dodeca-6,8-dienyl]piperidin-4-ol

(2R,4R,5S)-5-amino-2-[(6E,8E)-dodeca-6,8-dienyl]piperidin-4-ol (PubChem CID 163107178) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is (2R,4R,5S)-5-amino-2-[(6E,8E)-dodeca-6,8-dienyl]piperidin-4-ol.

Molecular Properties

Compound Name(2R,4R,5S)-5-amino-2-[(6E,8E)-dodeca-6,8-dienyl]piperidin-4-ol
PubChem CID163107178
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name(2R,4R,5S)-5-amino-2-[(6E,8E)-dodeca-6,8-dienyl]piperidin-4-ol
SMILESCCC/C=C/C=C/CCCCC[C@@H]1C[C@@H](O)[C@@H](N)CN1
InChIInChI=1S/C17H32N2O/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-17(20)16(18)14-19-15/h4-7,15-17,19-20H,2-3,8-14,18H2,1H3/b5-4+,7-6+/t15-,16+,17-/m1/s1
InChIKeyALPPRTQKVXDWNZ-FGFBNHJHSA-N
XLogP2.90
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4R,5S)-5-amino-2-[(6E,8E)-dodeca-6,8-dienyl]piperidin-4-ol?
The IUPAC name of (2R,4R,5S)-5-amino-2-[(6E,8E)-dodeca-6,8-dienyl]piperidin-4-ol (CID 163107178) is (2R,4R,5S)-5-amino-2-[(6E,8E)-dodeca-6,8-dienyl]piperidin-4-ol.
What is the SMILES notation for (2R,4R,5S)-5-amino-2-[(6E,8E)-dodeca-6,8-dienyl]piperidin-4-ol?
The canonical SMILES for (2R,4R,5S)-5-amino-2-[(6E,8E)-dodeca-6,8-dienyl]piperidin-4-ol is CCC/C=C/C=C/CCCCC[C@@H]1C[C@@H](O)[C@@H](N)CN1.
What is the InChIKey of (2R,4R,5S)-5-amino-2-[(6E,8E)-dodeca-6,8-dienyl]piperidin-4-ol?
The InChIKey is ALPPRTQKVXDWNZ-FGFBNHJHSA-N. The full InChI is InChI=1S/C17H32N2O/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-17(20)16(18)14-19-15/h4-7,15-17,19-20H,2-3,8-14,18H2,1H3/b5-4+,7-6+/t15-,16+,17-/m1/s1.
What are the key properties of (2R,4R,5S)-5-amino-2-[(6E,8E)-dodeca-6,8-dienyl]piperidin-4-ol?
(2R,4R,5S)-5-amino-2-[(6E,8E)-dodeca-6,8-dienyl]piperidin-4-ol has a molecular weight of 280.46 g/mol, XLogP of 2.90, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5S)-5-amino-2-[(6E,8E)-dodeca-6,8-dienyl]piperidin-4-ol is sourced from PubChem (CID 163107178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).