2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol

C13H25NO — CID 21027121

IUPAC2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol
SMILESCC(C)/C=C/CN1CCC(CCO)CC1
InChIInChI=1S/C13H25NO/c1-12(2)4-3-8-14-9-5-13(6-10-14)7-11-15/h3-4,12-13,15H,5-11H2,1-2H3/b4-3+
InChIKeyNQMPIXUUTGYZBX-ONEGZZNKSA-N
MW211.35 g/mol
LogP2.29
Rot. Bonds5

About 2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol

2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol (PubChem CID 21027121) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol
PubChem CID21027121
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol
SMILESCC(C)/C=C/CN1CCC(CCO)CC1
InChIInChI=1S/C13H25NO/c1-12(2)4-3-8-14-9-5-13(6-10-14)7-11-15/h3-4,12-13,15H,5-11H2,1-2H3/b4-3+
InChIKeyNQMPIXUUTGYZBX-ONEGZZNKSA-N
XLogP2.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol
CID 28734796
2-[1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol
CID 45183462
2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-3-yl]ethanol
CID 115648536
2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanol
CID 83981105
2-[4-(2-hydroxyethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 121200085
1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 121200732
2-[1-(1-methoxyethyl)piperidin-4-yl]ethanol
CID 57139820
2-[1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]ethanol
CID 166141791
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanal
CID 114800023
2-[1-(2-cyclopropylethyl)pyrrolidin-3-yl]ethanol
CID 115665613
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanoic acid
CID 114798284
(3S)-3-methyl-1-[(E)-4-methylpent-2-enyl]piperazine
CID 168934429

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol (CID 21027121) is 2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol is CC(C)/C=C/CN1CCC(CCO)CC1.
What is the InChIKey of 2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol?
The InChIKey is NQMPIXUUTGYZBX-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H25NO/c1-12(2)4-3-8-14-9-5-13(6-10-14)7-11-15/h3-4,12-13,15H,5-11H2,1-2H3/b4-3+.
What are the key properties of 2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol?
2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol has a molecular weight of 211.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 21027121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).