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

C9H18NO+ — CID 7200749

IUPAC1-methyl-4-prop-2-enylpiperidin-1-ium-4-ol
SMILESC=CCC1(O)CC[NH+](C)CC1
InChIInChI=1S/C9H17NO/c1-3-4-9(11)5-7-10(2)8-6-9/h3,11H,1,4-8H2,2H3/p+1
InChIKeyWDDSVBJDUGHBMW-UHFFFAOYSA-O
MW156.25 g/mol
LogP-0.40
Rot. Bonds2

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

1-methyl-4-prop-2-enylpiperidin-1-ium-4-ol (PubChem CID 7200749) has the molecular formula C9H18NO+ and a molecular weight of 156.25 g/mol. Its IUPAC name is 1-methyl-4-prop-2-enylpiperidin-1-ium-4-ol.

Molecular Properties

Compound Name1-methyl-4-prop-2-enylpiperidin-1-ium-4-ol
PubChem CID7200749
Molecular FormulaC9H18NO+
Molecular Weight156.25 g/mol
Exact Mass156.14
IUPAC Name1-methyl-4-prop-2-enylpiperidin-1-ium-4-ol
SMILESC=CCC1(O)CC[NH+](C)CC1
InChIInChI=1S/C9H17NO/c1-3-4-9(11)5-7-10(2)8-6-9/h3,11H,1,4-8H2,2H3/p+1
InChIKeyWDDSVBJDUGHBMW-UHFFFAOYSA-O
XLogP-0.40
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 5-0.40
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
5-Dimethyl-4-vinylpiperid-4-ol
CID 129787725
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-(Methylethyl)-4-prop-2-enylpiperidin-4-ol
CID 5200463
4-(Prop-2-en-1-yl)piperidin-4-ol
CID 1504802
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
1-Tert-butyl-4-prop-2-enylpiperidin-4-ol
CID 90419798
4-Methoxy-4-prop-2-enylpiperidine
CID 91115657

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-prop-2-enylpiperidin-1-ium-4-ol?
The IUPAC name of 1-methyl-4-prop-2-enylpiperidin-1-ium-4-ol (CID 7200749) is 1-methyl-4-prop-2-enylpiperidin-1-ium-4-ol.
What is the SMILES notation for 1-methyl-4-prop-2-enylpiperidin-1-ium-4-ol?
The canonical SMILES for 1-methyl-4-prop-2-enylpiperidin-1-ium-4-ol is C=CCC1(O)CC[NH+](C)CC1.
What is the InChIKey of 1-methyl-4-prop-2-enylpiperidin-1-ium-4-ol?
The InChIKey is WDDSVBJDUGHBMW-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H17NO/c1-3-4-9(11)5-7-10(2)8-6-9/h3,11H,1,4-8H2,2H3/p+1.
What are the key properties of 1-methyl-4-prop-2-enylpiperidin-1-ium-4-ol?
1-methyl-4-prop-2-enylpiperidin-1-ium-4-ol has a molecular weight of 156.25 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-prop-2-enylpiperidin-1-ium-4-ol is sourced from PubChem (CID 7200749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).