4-prop-2-enylpiperidin-1-ium-4-ol

C8H16NO+ — CID 7320723

IUPAC4-prop-2-enylpiperidin-1-ium-4-ol
SMILESC=CCC1(O)CC[NH2+]CC1
InChIInChI=1S/C8H15NO/c1-2-3-8(10)4-6-9-7-5-8/h2,9-10H,1,3-7H2/p+1
InChIKeyBYWHWKOPJSTPIT-UHFFFAOYSA-O
MW142.22 g/mol
LogP-0.35
Rot. Bonds2

About 4-prop-2-enylpiperidin-1-ium-4-ol

4-prop-2-enylpiperidin-1-ium-4-ol (PubChem CID 7320723) has the molecular formula C8H16NO+ and a molecular weight of 142.22 g/mol. Its IUPAC name is 4-prop-2-enylpiperidin-1-ium-4-ol.

Molecular Properties

Compound Name4-prop-2-enylpiperidin-1-ium-4-ol
PubChem CID7320723
Molecular FormulaC8H16NO+
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name4-prop-2-enylpiperidin-1-ium-4-ol
SMILESC=CCC1(O)CC[NH2+]CC1
InChIInChI=1S/C8H15NO/c1-2-3-8(10)4-6-9-7-5-8/h2,9-10H,1,3-7H2/p+1
InChIKeyBYWHWKOPJSTPIT-UHFFFAOYSA-O
XLogP-0.35
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-[(E)-4,4,4-trifluorobut-2-enyl]piperidin-4-ol
CID 90419023
(3R,4R)-4-ethenyl-3-fluoropiperidin-4-ol
CID 156549721
1,1-Dimethyl-4-prop-2-enylpiperidin-1-ium-4-ol bromide
CID 24191827
4-(Prop-2-en-1-yl)piperidin-4-ol
CID 1504802
1-Phosphanyl-4-prop-2-enylpiperidin-4-ol
CID 18686317
4-Ethenylpiperidin-4-ol
CID 59820086
4-Prop-1-en-2-ylpiperidin-4-ol
CID 79190995
4-(Ethylaminomethyl)hepta-1,6-dien-4-ol
CID 87438837
4-[2-[(3-Hydroxy-3-prop-2-enylhex-5-enyl)amino]ethyl]hepta-1,6-dien-4-ol
CID 87691762
4-Methoxy-4-prop-2-enylpiperidine
CID 91115657
4-[(E)-but-1-enyl]piperidin-4-ol
CID 117613586

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enylpiperidin-1-ium-4-ol?
The IUPAC name of 4-prop-2-enylpiperidin-1-ium-4-ol (CID 7320723) is 4-prop-2-enylpiperidin-1-ium-4-ol.
What is the SMILES notation for 4-prop-2-enylpiperidin-1-ium-4-ol?
The canonical SMILES for 4-prop-2-enylpiperidin-1-ium-4-ol is C=CCC1(O)CC[NH2+]CC1.
What is the InChIKey of 4-prop-2-enylpiperidin-1-ium-4-ol?
The InChIKey is BYWHWKOPJSTPIT-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H15NO/c1-2-3-8(10)4-6-9-7-5-8/h2,9-10H,1,3-7H2/p+1.
What are the key properties of 4-prop-2-enylpiperidin-1-ium-4-ol?
4-prop-2-enylpiperidin-1-ium-4-ol has a molecular weight of 142.22 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylpiperidin-1-ium-4-ol is sourced from PubChem (CID 7320723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).