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

C13H25AcNO — CID 21027122

IUPACactinium;2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol
SMILESCC(C)/C=C/CN1CCC(CCO)CC1.[Ac]
InChIInChI=1S/C13H25NO.Ac/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+;
InChIKeyMSQPQLNAIOJNSK-BJILWQEISA-N
MW438.35 g/mol
LogP2.29
Rot. Bonds5

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

actinium;2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol (PubChem CID 21027122) has the molecular formula C13H25AcNO and a molecular weight of 438.35 g/mol. Its IUPAC name is actinium;2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Nameactinium;2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol
PubChem CID21027122
Molecular FormulaC13H25AcNO
Molecular Weight438.35 g/mol
Exact Mass438.22
IUPAC Nameactinium;2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol
SMILESCC(C)/C=C/CN1CCC(CCO)CC1.[Ac]
InChIInChI=1S/C13H25NO.Ac/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+;
InChIKeyMSQPQLNAIOJNSK-BJILWQEISA-N
XLogP2.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.35
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

[(3S,4S)-4-[(1E,3E,5Z)-4-fluorohepta-1,3,5-trienyl]-1-methylpiperidin-3-yl]methanol
CID 142095990
3-hydroxy-N-methyl-tetrahydroisoquinoline
CID 129678249
1-[(3Z,5E)-5-fluorohepta-3,5-dienyl]piperidin-2-ol
CID 144373272
2-[1-[(E)-3-tributylstannylprop-2-enyl]piperidin-4-yl]ethanol
CID 10182900
2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol
CID 21027121
2-[1-(3-Tributylstannylprop-2-enyl)piperidin-4-yl]ethanol
CID 69663845
[1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]methanol
CID 122535899
2-[5-(1-Methylpiperidin-1-ium-1-yl)cyclohex-3-en-1-yl]ethanol
CID 123856754
2-[1-[(E)-but-2-enyl]piperidin-4-yl]ethanol
CID 142215769
[1-[(3Z,5Z)-2-methylocta-3,5-dienyl]piperidin-4-yl]methanol
CID 142940201
Cyclohex-3-en-1-yl(diethylamino)methanol
CID 145571397
(4-Ethenyl-1-methylpiperidin-3-yl)methanol
CID 166946029

Frequently Asked Questions

What is the IUPAC name of actinium;2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol?
The IUPAC name of actinium;2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol (CID 21027122) is actinium;2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol.
What is the SMILES notation for actinium;2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol?
The canonical SMILES for actinium;2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol is CC(C)/C=C/CN1CCC(CCO)CC1.[Ac].
What is the InChIKey of actinium;2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol?
The InChIKey is MSQPQLNAIOJNSK-BJILWQEISA-N. The full InChI is InChI=1S/C13H25NO.Ac/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 actinium;2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol?
actinium;2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol has a molecular weight of 438.35 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 actinium;2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 21027122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).