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

C15H27NO2 — CID 176706083

IUPAC[(2R,4R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-yl]methanol;methanol
SMILESC=C/C=C(\C=C)CN1CC[C@@H](CO)C[C@H]1C.CO
InChIInChI=1S/C14H23NO.CH4O/c1-4-6-13(5-2)10-15-8-7-14(11-16)9-12(15)3;1-2/h4-6,12,14,16H,1-2,7-11H2,3H3;2H,1H3/b13-6+;/t12-,14-;/m1./s1
InChIKeyBRGMIKGTXVBMLU-XGTMXKNUSA-N
MW253.39 g/mol
LogP1.99
Rot. Bonds5

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

[(2R,4R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-yl]methanol;methanol (PubChem CID 176706083) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is [(2R,4R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-yl]methanol;methanol.

Molecular Properties

Compound Name[(2R,4R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-yl]methanol;methanol
PubChem CID176706083
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name[(2R,4R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-yl]methanol;methanol
SMILESC=C/C=C(\C=C)CN1CC[C@@H](CO)C[C@H]1C.CO
InChIInChI=1S/C14H23NO.CH4O/c1-4-6-13(5-2)10-15-8-7-14(11-16)9-12(15)3;1-2/h4-6,12,14,16H,1-2,7-11H2,3H3;2H,1H3/b13-6+;/t12-,14-;/m1./s1
InChIKeyBRGMIKGTXVBMLU-XGTMXKNUSA-N
XLogP1.99
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Related Compounds

[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-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methylpiperidin-4-yl]methanol
CID 145440061
2-[3,5-dimethyl-1-[(Z)-2-methylidenepent-3-enyl]piperidin-2-yl]ethanol
CID 173535528
2-[1-(3-Methylbut-2-enyl)piperidin-3-yl]ethanol
CID 62356826
2-(1-But-3-en-2-ylpiperidin-3-yl)ethanol
CID 62383456
2-[1-(2-Methylidenebutyl)piperidin-3-yl]ethanol
CID 66039018
2-(1-But-2-enylpiperidin-3-yl)ethanol
CID 76941395
2-[1-(3-Methylhex-5-en-2-yl)piperidin-3-yl]ethanol
CID 104175760
(1-Hept-6-en-2-ylpiperidin-4-yl)methanol
CID 109966380

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-yl]methanol;methanol?
The IUPAC name of [(2R,4R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-yl]methanol;methanol (CID 176706083) is [(2R,4R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-yl]methanol;methanol.
What is the SMILES notation for [(2R,4R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-yl]methanol;methanol?
The canonical SMILES for [(2R,4R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-yl]methanol;methanol is C=C/C=C(\C=C)CN1CC[C@@H](CO)C[C@H]1C.CO.
What is the InChIKey of [(2R,4R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-yl]methanol;methanol?
The InChIKey is BRGMIKGTXVBMLU-XGTMXKNUSA-N. The full InChI is InChI=1S/C14H23NO.CH4O/c1-4-6-13(5-2)10-15-8-7-14(11-16)9-12(15)3;1-2/h4-6,12,14,16H,1-2,7-11H2,3H3;2H,1H3/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;methanol?
[(2R,4R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-yl]methanol;methanol has a molecular weight of 253.39 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 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;methanol is sourced from PubChem (CID 176706083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).