1,1-bis(prop-2-enyl)piperidin-1-ium-4-ol bromide

C11H20BrNO — CID 70246044

IUPAC1,1-bis(prop-2-enyl)piperidin-1-ium-4-ol bromide
SMILESC=CC[N+]1(CC=C)CCC(O)CC1.[Br-]
InChIInChI=1S/C11H20NO.BrH/c1-3-7-12(8-4-2)9-5-11(13)6-10-12;/h3-4,11,13H,1-2,5-10H2;1H/q+1;/p-1
InChIKeyBPPZAYXESUYSLC-UHFFFAOYSA-M
MW262.19 g/mol
LogP-1.67
Rot. Bonds4

About 1,1-bis(prop-2-enyl)piperidin-1-ium-4-ol bromide

1,1-bis(prop-2-enyl)piperidin-1-ium-4-ol bromide (PubChem CID 70246044) has the molecular formula C11H20BrNO and a molecular weight of 262.19 g/mol. Its IUPAC name is 1,1-bis(prop-2-enyl)piperidin-1-ium-4-ol bromide.

Molecular Properties

Compound Name1,1-bis(prop-2-enyl)piperidin-1-ium-4-ol bromide
PubChem CID70246044
Molecular FormulaC11H20BrNO
Molecular Weight262.19 g/mol
Exact Mass261.07
IUPAC Name1,1-bis(prop-2-enyl)piperidin-1-ium-4-ol bromide
SMILESC=CC[N+]1(CC=C)CCC(O)CC1.[Br-]
InChIInChI=1S/C11H20NO.BrH/c1-3-7-12(8-4-2)9-5-11(13)6-10-12;/h3-4,11,13H,1-2,5-10H2;1H/q+1;/p-1
InChIKeyBPPZAYXESUYSLC-UHFFFAOYSA-M
XLogP-1.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 5-1.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(prop-2-enyl)piperidin-1-ium-4-ol bromide?
The IUPAC name of 1,1-bis(prop-2-enyl)piperidin-1-ium-4-ol bromide (CID 70246044) is 1,1-bis(prop-2-enyl)piperidin-1-ium-4-ol bromide.
What is the SMILES notation for 1,1-bis(prop-2-enyl)piperidin-1-ium-4-ol bromide?
The canonical SMILES for 1,1-bis(prop-2-enyl)piperidin-1-ium-4-ol bromide is C=CC[N+]1(CC=C)CCC(O)CC1.[Br-].
What is the InChIKey of 1,1-bis(prop-2-enyl)piperidin-1-ium-4-ol bromide?
The InChIKey is BPPZAYXESUYSLC-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H20NO.BrH/c1-3-7-12(8-4-2)9-5-11(13)6-10-12;/h3-4,11,13H,1-2,5-10H2;1H/q+1;/p-1.
What are the key properties of 1,1-bis(prop-2-enyl)piperidin-1-ium-4-ol bromide?
1,1-bis(prop-2-enyl)piperidin-1-ium-4-ol bromide has a molecular weight of 262.19 g/mol, XLogP of -1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(prop-2-enyl)piperidin-1-ium-4-ol bromide is sourced from PubChem (CID 70246044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).