2-[3,5-dimethyl-1-(2-methylidenepent-3-enyl)piperidin-2-yl]ethanol

C15H27NO — CID 123183755

IUPAC2-[3,5-dimethyl-1-(2-methylidenepent-3-enyl)piperidin-2-yl]ethanol
SMILESC=C(C=CC)CN1CC(C)CC(C)C1CCO
InChIInChI=1S/C15H27NO/c1-5-6-12(2)10-16-11-13(3)9-14(4)15(16)7-8-17/h5-6,13-15,17H,2,7-11H2,1,3-4H3
InChIKeyKJFPSVHGEVKHAE-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.85
Rot. Bonds5

About 2-[3,5-dimethyl-1-(2-methylidenepent-3-enyl)piperidin-2-yl]ethanol

2-[3,5-dimethyl-1-(2-methylidenepent-3-enyl)piperidin-2-yl]ethanol (PubChem CID 123183755) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(2-methylidenepent-3-enyl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-(2-methylidenepent-3-enyl)piperidin-2-yl]ethanol
PubChem CID123183755
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-[3,5-dimethyl-1-(2-methylidenepent-3-enyl)piperidin-2-yl]ethanol
SMILESC=C(C=CC)CN1CC(C)CC(C)C1CCO
InChIInChI=1S/C15H27NO/c1-5-6-12(2)10-16-11-13(3)9-14(4)15(16)7-8-17/h5-6,13-15,17H,2,7-11H2,1,3-4H3
InChIKeyKJFPSVHGEVKHAE-UHFFFAOYSA-N
XLogP2.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.85
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

[1-[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]-2,6-dimethylpiperidin-4-yl]methanol
CID 143623572
2-[1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]piperidin-2-yl]ethanol
CID 15358964
3-(6-Methyl-6-azabicyclo[3.2.2]non-2-en-2-yl)propan-1-ol
CID 69286796
(4-pentyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-3-yl)methanol
CID 70186852
[(3E)-5-ethyl-3-ethylidene-1-methylpiperidin-2-yl]methanol
CID 89297578
2-[1-(2-Methylidenepent-3-enyl)piperidin-2-yl]ethanol
CID 123461604
CID 141823014
CID 141823014
CID 141847526
CID 141847526
2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-2-yl]ethanol
CID 144430928
ethane;[1-[(Z)-2-methylidenepent-3-enyl]piperidin-2-yl]methanol
CID 144575297
2-[1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperidin-2-yl]ethanol
CID 144575301
ethene;2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol
CID 144575343

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-(2-methylidenepent-3-enyl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[3,5-dimethyl-1-(2-methylidenepent-3-enyl)piperidin-2-yl]ethanol (CID 123183755) is 2-[3,5-dimethyl-1-(2-methylidenepent-3-enyl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[3,5-dimethyl-1-(2-methylidenepent-3-enyl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[3,5-dimethyl-1-(2-methylidenepent-3-enyl)piperidin-2-yl]ethanol is C=C(C=CC)CN1CC(C)CC(C)C1CCO.
What is the InChIKey of 2-[3,5-dimethyl-1-(2-methylidenepent-3-enyl)piperidin-2-yl]ethanol?
The InChIKey is KJFPSVHGEVKHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-5-6-12(2)10-16-11-13(3)9-14(4)15(16)7-8-17/h5-6,13-15,17H,2,7-11H2,1,3-4H3.
What are the key properties of 2-[3,5-dimethyl-1-(2-methylidenepent-3-enyl)piperidin-2-yl]ethanol?
2-[3,5-dimethyl-1-(2-methylidenepent-3-enyl)piperidin-2-yl]ethanol has a molecular weight of 237.39 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-(2-methylidenepent-3-enyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 123183755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).