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

C11H21NO — CID 167993486

IUPAC1-methyl-4-pent-4-enylpiperidin-4-ol
SMILESC=CCCCC1(O)CCN(C)CC1
InChIInChI=1S/C11H21NO/c1-3-4-5-6-11(13)7-9-12(2)10-8-11/h3,13H,1,4-10H2,2H3
InChIKeyXOZZQSDBCVTZEC-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds4

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

1-methyl-4-pent-4-enylpiperidin-4-ol (PubChem CID 167993486) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-methyl-4-pent-4-enylpiperidin-4-ol.

Molecular Properties

Compound Name1-methyl-4-pent-4-enylpiperidin-4-ol
PubChem CID167993486
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-methyl-4-pent-4-enylpiperidin-4-ol
SMILESC=CCCCC1(O)CCN(C)CC1
InChIInChI=1S/C11H21NO/c1-3-4-5-6-11(13)7-9-12(2)10-8-11/h3,13H,1,4-10H2,2H3
InChIKeyXOZZQSDBCVTZEC-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

1-Methyl-4-(prop-2-en-1-yl)piperidin-4-ol
CID 1506157
4-(4,4-Difluorobut-3-enyl)-1-methylpiperidin-4-ol
CID 146582324
4-Methyl-1-piperidin-1-yloct-7-en-2-yn-4-ol
CID 3317216
1,2,5-Trimethyl-4-(prop-2-en-1-yl)piperidin-4-ol
CID 4912825
1,3-Dimethyl-4-prop-2-enylpiperidin-4-ol
CID 4917707
1,1-Dimethyl-4-prop-2-enylpiperidin-1-ium-4-ol bromide
CID 24191827
1-Ethyl-4-(2-methylprop-2-enyl)piperidin-4-ol
CID 819660
1-Methyl-4-(2-methyl-2-propen-1-yl)-4-piperidinol
CID 5200278
1-(Methylethyl)-4-prop-2-enylpiperidin-4-ol
CID 5200463
4-But-3-enyl-1,2,2,6,6-pentamethylpiperidin-4-ol
CID 11138813
4-Ethenyl-1,2,2,6,6-pentamethyl-4-piperidinol
CID 12627395
4-But-3-enyl-1-methylpiperidin-4-ol
CID 20622649

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-pent-4-enylpiperidin-4-ol?
The IUPAC name of 1-methyl-4-pent-4-enylpiperidin-4-ol (CID 167993486) is 1-methyl-4-pent-4-enylpiperidin-4-ol.
What is the SMILES notation for 1-methyl-4-pent-4-enylpiperidin-4-ol?
The canonical SMILES for 1-methyl-4-pent-4-enylpiperidin-4-ol is C=CCCCC1(O)CCN(C)CC1.
What is the InChIKey of 1-methyl-4-pent-4-enylpiperidin-4-ol?
The InChIKey is XOZZQSDBCVTZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-4-5-6-11(13)7-9-12(2)10-8-11/h3,13H,1,4-10H2,2H3.
What are the key properties of 1-methyl-4-pent-4-enylpiperidin-4-ol?
1-methyl-4-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 1-methyl-4-pent-4-enylpiperidin-4-ol is sourced from PubChem (CID 167993486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).