1-but-3-en-2-yl-4-methylpiperidin-3-ol

C10H19NO — CID 103898201

IUPAC1-but-3-en-2-yl-4-methylpiperidin-3-ol
SMILESC=CC(C)N1CCC(C)C(O)C1
InChIInChI=1S/C10H19NO/c1-4-9(3)11-6-5-8(2)10(12)7-11/h4,8-10,12H,1,5-7H2,2-3H3
InChIKeyFTXQKOALULDRLL-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.26
Rot. Bonds2

About 1-but-3-en-2-yl-4-methylpiperidin-3-ol

1-but-3-en-2-yl-4-methylpiperidin-3-ol (PubChem CID 103898201) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-but-3-en-2-yl-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-but-3-en-2-yl-4-methylpiperidin-3-ol
PubChem CID103898201
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-but-3-en-2-yl-4-methylpiperidin-3-ol
SMILESC=CC(C)N1CCC(C)C(O)C1
InChIInChI=1S/C10H19NO/c1-4-9(3)11-6-5-8(2)10(12)7-11/h4,8-10,12H,1,5-7H2,2-3H3
InChIKeyFTXQKOALULDRLL-UHFFFAOYSA-N
XLogP1.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.26
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-Allyl-2,5-dimethyl-4-piperidinol
CID 10920927
2,2,2-Trifluoro-1-(1-hept-6-en-2-ylpiperidin-4-yl)ethanol
CID 109967149
(1-But-3-en-2-ylpiperidin-4-yl)methanol
CID 61517704
1-But-3-enylpiperidin-3-ol
CID 64300040
Methane;1-prop-2-enylpiperidin-3-ol
CID 67493066
1-(1-Prop-2-enylpiperidin-4-yl)prop-2-en-1-ol
CID 124140944
3-Methylidene-1-(4-methylpiperidin-1-yl)pentan-2-ol
CID 131995211
2-Ethenyl-1-methylpiperidin-3-ol
CID 139998908
(3S,4R)-4-ethenyl-1-ethyl-4-methylpiperidin-3-ol
CID 143448093
1-(1-Methylpiperidin-4-yl)prop-2-en-1-ol
CID 144043856
1-(3-Ethylhex-5-en-2-yl)piperidin-4-ol
CID 145590016
4-Methyl-1-pent-1-en-2-ylpiperidin-3-ol
CID 155200004

Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-yl-4-methylpiperidin-3-ol?
The IUPAC name of 1-but-3-en-2-yl-4-methylpiperidin-3-ol (CID 103898201) is 1-but-3-en-2-yl-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-but-3-en-2-yl-4-methylpiperidin-3-ol?
The canonical SMILES for 1-but-3-en-2-yl-4-methylpiperidin-3-ol is C=CC(C)N1CCC(C)C(O)C1.
What is the InChIKey of 1-but-3-en-2-yl-4-methylpiperidin-3-ol?
The InChIKey is FTXQKOALULDRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-9(3)11-6-5-8(2)10(12)7-11/h4,8-10,12H,1,5-7H2,2-3H3.
What are the key properties of 1-but-3-en-2-yl-4-methylpiperidin-3-ol?
1-but-3-en-2-yl-4-methylpiperidin-3-ol has a molecular weight of 169.27 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yl-4-methylpiperidin-3-ol is sourced from PubChem (CID 103898201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).