4-methyl-1-pent-4-enylpiperidin-4-ol

C11H21NO — CID 80702121

IUPAC4-methyl-1-pent-4-enylpiperidin-4-ol
SMILESC=CCCCN1CCC(C)(O)CC1
InChIInChI=1S/C11H21NO/c1-3-4-5-8-12-9-6-11(2,13)7-10-12/h3,13H,1,4-10H2,2H3
InChIKeyIFBITDGWFCYXSP-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds4

About 4-methyl-1-pent-4-enylpiperidin-4-ol

4-methyl-1-pent-4-enylpiperidin-4-ol (PubChem CID 80702121) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-methyl-1-pent-4-enylpiperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-pent-4-enylpiperidin-4-ol
PubChem CID80702121
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-methyl-1-pent-4-enylpiperidin-4-ol
SMILESC=CCCCN1CCC(C)(O)CC1
InChIInChI=1S/C11H21NO/c1-3-4-5-8-12-9-6-11(2,13)7-10-12/h3,13H,1,4-10H2,2H3
InChIKeyIFBITDGWFCYXSP-UHFFFAOYSA-N
XLogP1.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

CID 12283012
CID 12283012
CID 1506157
CID 1506157
CID 10374544
CID 10374544
CID 144714353
CID 144714353
CID 4912825
CID 4912825
CID 129787673
CID 129787673
CID 167993486
CID 167993486
CID 178185652
CID 178185652
CID 109967366
CID 109967366
CID 3317216
CID 3317216
CID 4917707
CID 4917707
CID 24191827
CID 24191827

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-pent-4-enylpiperidin-4-ol?
The IUPAC name of 4-methyl-1-pent-4-enylpiperidin-4-ol (CID 80702121) is 4-methyl-1-pent-4-enylpiperidin-4-ol.
What is the SMILES notation for 4-methyl-1-pent-4-enylpiperidin-4-ol?
The canonical SMILES for 4-methyl-1-pent-4-enylpiperidin-4-ol is C=CCCCN1CCC(C)(O)CC1.
What is the InChIKey of 4-methyl-1-pent-4-enylpiperidin-4-ol?
The InChIKey is IFBITDGWFCYXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-4-5-8-12-9-6-11(2,13)7-10-12/h3,13H,1,4-10H2,2H3.
What are the key properties of 4-methyl-1-pent-4-enylpiperidin-4-ol?
4-methyl-1-pent-4-enylpiperidin-4-ol has a molecular weight of 183.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-pent-4-enylpiperidin-4-ol is sourced from PubChem (CID 80702121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).