1-(3-but-3-en-2-yloxypropyl)piperidin-4-ol

C12H23NO2 — CID 156869153

IUPAC1-(3-but-3-en-2-yloxypropyl)piperidin-4-ol
SMILESC=CC(C)OCCCN1CCC(O)CC1
InChIInChI=1S/C12H23NO2/c1-3-11(2)15-10-4-7-13-8-5-12(14)6-9-13/h3,11-12,14H,1,4-10H2,2H3
InChIKeyCSGNOJXJANRVLG-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.42
Rot. Bonds6

About 1-(3-but-3-en-2-yloxypropyl)piperidin-4-ol

1-(3-but-3-en-2-yloxypropyl)piperidin-4-ol (PubChem CID 156869153) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(3-but-3-en-2-yloxypropyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(3-but-3-en-2-yloxypropyl)piperidin-4-ol
PubChem CID156869153
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(3-but-3-en-2-yloxypropyl)piperidin-4-ol
SMILESC=CC(C)OCCCN1CCC(O)CC1
InChIInChI=1S/C12H23NO2/c1-3-11(2)15-10-4-7-13-8-5-12(14)6-9-13/h3,11-12,14H,1,4-10H2,2H3
InChIKeyCSGNOJXJANRVLG-UHFFFAOYSA-N
XLogP1.42
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-4-prop-2-enoxypiperidine
CID 59007495
1-Pent-4-enylpiperidin-4-ol
CID 64300041
1-(3-Cyclohexa-2,5-dien-1-yloxypropyl)piperidin-4-ol
CID 90953626
1-[(E)-4-methoxybut-2-enyl]piperidin-4-ol
CID 143150884
1-(3-Prop-1-en-2-yloxypropyl)piperidin-4-ol
CID 154661382
1-[(2R)-2-methylbut-3-enyl]piperidin-4-ol
CID 156885258
1-But-3-enylpiperidin-4-ol
CID 64300042
2-(1-But-3-enylpiperidin-4-yl)oxyethanol
CID 81884254
3-(1-Pent-4-enylpiperidin-4-yl)oxypropan-1-ol
CID 112230895
3-(1-But-3-enylpiperidin-4-yl)oxypropan-1-ol
CID 112230972
1-(4-Ethoxypiperidin-1-yl)hex-5-en-2-ol
CID 112283070

Frequently Asked Questions

What is the IUPAC name of 1-(3-but-3-en-2-yloxypropyl)piperidin-4-ol?
The IUPAC name of 1-(3-but-3-en-2-yloxypropyl)piperidin-4-ol (CID 156869153) is 1-(3-but-3-en-2-yloxypropyl)piperidin-4-ol.
What is the SMILES notation for 1-(3-but-3-en-2-yloxypropyl)piperidin-4-ol?
The canonical SMILES for 1-(3-but-3-en-2-yloxypropyl)piperidin-4-ol is C=CC(C)OCCCN1CCC(O)CC1.
What is the InChIKey of 1-(3-but-3-en-2-yloxypropyl)piperidin-4-ol?
The InChIKey is CSGNOJXJANRVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-11(2)15-10-4-7-13-8-5-12(14)6-9-13/h3,11-12,14H,1,4-10H2,2H3.
What are the key properties of 1-(3-but-3-en-2-yloxypropyl)piperidin-4-ol?
1-(3-but-3-en-2-yloxypropyl)piperidin-4-ol has a molecular weight of 213.32 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-but-3-en-2-yloxypropyl)piperidin-4-ol is sourced from PubChem (CID 156869153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).