[(2R,4R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-yl]methanol

C14H23NO — CID 176706084

IUPAC[(2R,4R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-yl]methanol
SMILESC=C/C=C(\C=C)CN1CC[C@@H](CO)C[C@H]1C
InChIInChI=1S/C14H23NO/c1-4-6-13(5-2)10-15-8-7-14(11-16)9-12(15)3/h4-6,12,14,16H,1-2,7-11H2,3H3/b13-6+/t12-,14-/m1/s1
InChIKeyMWEQJWUEPOVNAI-ZLZWCUCMSA-N
MW221.34 g/mol
LogP2.38
Rot. Bonds5

About [(2R,4R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-yl]methanol

[(2R,4R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-yl]methanol (PubChem CID 176706084) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is [(2R,4R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[(2R,4R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-yl]methanol
PubChem CID176706084
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name[(2R,4R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-yl]methanol
SMILESC=C/C=C(\C=C)CN1CC[C@@H](CO)C[C@H]1C
InChIInChI=1S/C14H23NO/c1-4-6-13(5-2)10-15-8-7-14(11-16)9-12(15)3/h4-6,12,14,16H,1-2,7-11H2,3H3/b13-6+/t12-,14-/m1/s1
InChIKeyMWEQJWUEPOVNAI-ZLZWCUCMSA-N
XLogP2.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-Cyclohex-2-en-1-ylpiperidin-3-yl)ethanol
CID 56789997
[1-[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]-2,6-dimethylpiperidin-4-yl]methanol
CID 143623572
(1-But-3-en-2-ylpiperidin-4-yl)methanol
CID 61517704
[1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]methanol
CID 122535899
2-[3,5-Dimethyl-1-(2-methylidenepent-3-enyl)piperidin-2-yl]ethanol
CID 123183755
[1-[(3Z,5Z)-2-methylocta-3,5-dienyl]piperidin-4-yl]methanol
CID 142940201
ethene;2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol
CID 144575343
[1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methylpiperidin-4-yl]methanol
CID 145440061
[1-[(3E,5Z)-5-methylhepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol
CID 153547216
2-[3,5-dimethyl-1-[(Z)-2-methylidenepent-3-enyl]piperidin-2-yl]ethanol
CID 173535528
[(2R,4R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-yl]methanol;methanol
CID 176706083
ethane;[1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol
CID 178142444

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-yl]methanol?
The IUPAC name of [(2R,4R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-yl]methanol (CID 176706084) is [(2R,4R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-yl]methanol.
What is the SMILES notation for [(2R,4R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-yl]methanol?
The canonical SMILES for [(2R,4R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-yl]methanol is C=C/C=C(\C=C)CN1CC[C@@H](CO)C[C@H]1C.
What is the InChIKey of [(2R,4R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-yl]methanol?
The InChIKey is MWEQJWUEPOVNAI-ZLZWCUCMSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-6-13(5-2)10-15-8-7-14(11-16)9-12(15)3/h4-6,12,14,16H,1-2,7-11H2,3H3/b13-6+/t12-,14-/m1/s1.
What are the key properties of [(2R,4R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-yl]methanol?
[(2R,4R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-yl]methanol has a molecular weight of 221.34 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-yl]methanol is sourced from PubChem (CID 176706084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).