1-hydroxy-4,4-bis(prop-2-enyl)piperidine

C11H19NO — CID 156701735

IUPAC1-hydroxy-4,4-bis(prop-2-enyl)piperidine
SMILESC=CCC1(CC=C)CCN(O)CC1
InChIInChI=1S/C11H19NO/c1-3-5-11(6-4-2)7-9-12(13)10-8-11/h3-4,13H,1-2,5-10H2
InChIKeyYCDOJRWTXHKEAD-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.61
Rot. Bonds4

About 1-hydroxy-4,4-bis(prop-2-enyl)piperidine

1-hydroxy-4,4-bis(prop-2-enyl)piperidine (PubChem CID 156701735) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-hydroxy-4,4-bis(prop-2-enyl)piperidine.

Molecular Properties

Compound Name1-hydroxy-4,4-bis(prop-2-enyl)piperidine
PubChem CID156701735
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-hydroxy-4,4-bis(prop-2-enyl)piperidine
SMILESC=CCC1(CC=C)CCN(O)CC1
InChIInChI=1S/C11H19NO/c1-3-5-11(6-4-2)7-9-12(13)10-8-11/h3-4,13H,1-2,5-10H2
InChIKeyYCDOJRWTXHKEAD-UHFFFAOYSA-N
XLogP2.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.61
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

(3R)-3-fluoro-1-hydroxy-3-prop-2-enylpiperidine
CID 89317972
3-Fluoro-1-hydroxy-3-prop-2-enylpiperidine
CID 123893077
3-But-3-en-2-yl-3-ethyl-1-hydroxypiperidine
CID 88978019
(3S)-1-hydroxy-3-methyl-3-prop-2-enylpiperidine
CID 89317970
(3S)-1-hydroxy-3-methyl-3-(2-methylprop-2-enyl)piperidine
CID 89318280
(3S)-3-ethyl-1-hydroxy-3-prop-2-enylpiperidine
CID 89369724
1-Hydroxy-3-prop-2-enyl-3-propylpiperidine
CID 123202534
1-Hydroxy-3-methyl-3-(2-methylprop-2-enyl)piperidine
CID 123826886
(3S)-1-hydroxy-3-prop-2-enyl-3-propylpiperidine
CID 144497452
N-(2,2-diethylpent-4-enyl)-N-ethylhydroxylamine
CID 155131371
1-Hydroxy-2,2,3,3-tetrakis(prop-2-enyl)piperidine
CID 173116877
Azane;1-hydroxy-4-prop-2-enylpiperidine
CID 173945361

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4,4-bis(prop-2-enyl)piperidine?
The IUPAC name of 1-hydroxy-4,4-bis(prop-2-enyl)piperidine (CID 156701735) is 1-hydroxy-4,4-bis(prop-2-enyl)piperidine.
What is the SMILES notation for 1-hydroxy-4,4-bis(prop-2-enyl)piperidine?
The canonical SMILES for 1-hydroxy-4,4-bis(prop-2-enyl)piperidine is C=CCC1(CC=C)CCN(O)CC1.
What is the InChIKey of 1-hydroxy-4,4-bis(prop-2-enyl)piperidine?
The InChIKey is YCDOJRWTXHKEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-5-11(6-4-2)7-9-12(13)10-8-11/h3-4,13H,1-2,5-10H2.
What are the key properties of 1-hydroxy-4,4-bis(prop-2-enyl)piperidine?
1-hydroxy-4,4-bis(prop-2-enyl)piperidine has a molecular weight of 181.28 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4,4-bis(prop-2-enyl)piperidine is sourced from PubChem (CID 156701735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).