1-(1-prop-2-enylpiperidin-2-yl)propan-2-ol

C11H21NO — CID 114338064

IUPAC1-(1-prop-2-enylpiperidin-2-yl)propan-2-ol
SMILESC=CCN1CCCCC1CC(C)O
InChIInChI=1S/C11H21NO/c1-3-7-12-8-5-4-6-11(12)9-10(2)13/h3,10-11,13H,1,4-9H2,2H3
InChIKeyDMBZMAMNPYXHCS-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.80
Rot. Bonds4

About 1-(1-prop-2-enylpiperidin-2-yl)propan-2-ol

1-(1-prop-2-enylpiperidin-2-yl)propan-2-ol (PubChem CID 114338064) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-(1-prop-2-enylpiperidin-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-prop-2-enylpiperidin-2-yl)propan-2-ol
PubChem CID114338064
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name1-(1-prop-2-enylpiperidin-2-yl)propan-2-ol
SMILESC=CCN1CCCCC1CC(C)O
InChIInChI=1S/C11H21NO/c1-3-7-12-8-5-4-6-11(12)9-10(2)13/h3,10-11,13H,1,4-9H2,2H3
InChIKeyDMBZMAMNPYXHCS-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 ≤ 500183.30
LogP ≤ 51.80
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-(1-Methylpiperidin-2-yl)propan-2-ol
CID 11972082
8-Allyl-3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octane
CID 16193543
N-methyl-2-(2-hydroxybutyl)-6-(2-hydroxypentyl)-piperidine
CID 398123
(-)-N-Methylsedridine
CID 15226582
1-[6-(2-Hydroxybutyl)-1-methylpiperidin-2-yl]butan-2-ol
CID 162851712
1-[6-(2-Hydroxypropyl)-1-methylpiperidin-2-yl]butan-2-ol
CID 163032585
(+)-N-Methylallosedridine
CID 10888171
3-Hydroxy-8-methyl-8-(prop-2-en-1-yl)-8-azoniabicyclo[3.2.1]octane
CID 5003946
1-[6-(2-Hydroxybutyl)-1-methylpiperidin-2-yl]pentan-2-ol
CID 15838352
alpha-Ethyl-1-methyl-2-piperidineethanol
CID 11972083
1-Methyl-alpha-pentyl-2-piperidineethanol
CID 11972087
(2R)-1-[(2S)-1-methylpiperidin-2-yl]propan-2-ol
CID 11182752

Frequently Asked Questions

What is the IUPAC name of 1-(1-prop-2-enylpiperidin-2-yl)propan-2-ol?
The IUPAC name of 1-(1-prop-2-enylpiperidin-2-yl)propan-2-ol (CID 114338064) is 1-(1-prop-2-enylpiperidin-2-yl)propan-2-ol.
What is the SMILES notation for 1-(1-prop-2-enylpiperidin-2-yl)propan-2-ol?
The canonical SMILES for 1-(1-prop-2-enylpiperidin-2-yl)propan-2-ol is C=CCN1CCCCC1CC(C)O.
What is the InChIKey of 1-(1-prop-2-enylpiperidin-2-yl)propan-2-ol?
The InChIKey is DMBZMAMNPYXHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-7-12-8-5-4-6-11(12)9-10(2)13/h3,10-11,13H,1,4-9H2,2H3.
What are the key properties of 1-(1-prop-2-enylpiperidin-2-yl)propan-2-ol?
1-(1-prop-2-enylpiperidin-2-yl)propan-2-ol has a molecular weight of 183.30 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-(1-prop-2-enylpiperidin-2-yl)propan-2-ol is sourced from PubChem (CID 114338064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).