3-[1-[(E)-but-2-enyl]piperidin-3-yl]propan-1-ol

C12H23NO — CID 143202531

IUPAC3-[1-[(E)-but-2-enyl]piperidin-3-yl]propan-1-ol
SMILESC/C=C/CN1CCCC(CCCO)C1
InChIInChI=1S/C12H23NO/c1-2-3-8-13-9-4-6-12(11-13)7-5-10-14/h2-3,12,14H,4-11H2,1H3/b3-2+
InChIKeyQUSKIYGDNWVWMM-NSCUHMNNSA-N
MW197.32 g/mol
LogP2.05
Rot. Bonds5

About 3-[1-[(E)-but-2-enyl]piperidin-3-yl]propan-1-ol

3-[1-[(E)-but-2-enyl]piperidin-3-yl]propan-1-ol (PubChem CID 143202531) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-[1-[(E)-but-2-enyl]piperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[(E)-but-2-enyl]piperidin-3-yl]propan-1-ol
PubChem CID143202531
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-[1-[(E)-but-2-enyl]piperidin-3-yl]propan-1-ol
SMILESC/C=C/CN1CCCC(CCCO)C1
InChIInChI=1S/C12H23NO/c1-2-3-8-13-9-4-6-12(11-13)7-5-10-14/h2-3,12,14H,4-11H2,1H3/b3-2+
InChIKeyQUSKIYGDNWVWMM-NSCUHMNNSA-N
XLogP2.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.05
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

(1-Prop-2-enylpiperidin-3-yl)methanol
CID 14781225
1-Methyl-3-pent-4-enylpiperidin-2-ol
CID 134859970
2-[1-[(E)-3-tributylstannylprop-2-enyl]piperidin-4-yl]ethanol
CID 10182900
[(3R)-1-prop-2-enylpiperidin-3-yl]methanol
CID 11084113
2-(3-Ethenyl-1-heptylpiperidin-4-yl)ethanol
CID 17900681
3-(1-Methylpiperidin-3-yl)propan-1-ol
CID 20662446
2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol
CID 21027121
actinium;2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol
CID 21027122
3-(1-Pentylpiperidin-3-yl)propan-1-ol
CID 53841769
3-(1-Ethylpiperidin-3-yl)propan-1-ol
CID 54252448
2-[(3R,4S)-3-ethenyl-1-heptylpiperidin-4-yl]ethanol
CID 56990867
3-[(3R)-1-methylpiperidin-3-yl]propan-1-ol
CID 59958649

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(E)-but-2-enyl]piperidin-3-yl]propan-1-ol?
The IUPAC name of 3-[1-[(E)-but-2-enyl]piperidin-3-yl]propan-1-ol (CID 143202531) is 3-[1-[(E)-but-2-enyl]piperidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[(E)-but-2-enyl]piperidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[1-[(E)-but-2-enyl]piperidin-3-yl]propan-1-ol is C/C=C/CN1CCCC(CCCO)C1.
What is the InChIKey of 3-[1-[(E)-but-2-enyl]piperidin-3-yl]propan-1-ol?
The InChIKey is QUSKIYGDNWVWMM-NSCUHMNNSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-3-8-13-9-4-6-12(11-13)7-5-10-14/h2-3,12,14H,4-11H2,1H3/b3-2+.
What are the key properties of 3-[1-[(E)-but-2-enyl]piperidin-3-yl]propan-1-ol?
3-[1-[(E)-but-2-enyl]piperidin-3-yl]propan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(E)-but-2-enyl]piperidin-3-yl]propan-1-ol is sourced from PubChem (CID 143202531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).