4-cyclohexa-1,5-dien-1-yl-1-phosphanylpiperidin-3-ol

C11H18NOP — CID 20677458

IUPAC4-cyclohexa-1,5-dien-1-yl-1-phosphanylpiperidin-3-ol
SMILESOC1CN(P)CCC1C1=CCCC=C1
InChIInChI=1S/C11H18NOP/c13-11-8-12(14)7-6-10(11)9-4-2-1-3-5-9/h2,4-5,10-11,13H,1,3,6-8,14H2
InChIKeyKYSXVFFFPVKYTG-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.74
Rot. Bonds1

About 4-cyclohexa-1,5-dien-1-yl-1-phosphanylpiperidin-3-ol

4-cyclohexa-1,5-dien-1-yl-1-phosphanylpiperidin-3-ol (PubChem CID 20677458) has the molecular formula C11H18NOP and a molecular weight of 211.24 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yl-1-phosphanylpiperidin-3-ol.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yl-1-phosphanylpiperidin-3-ol
PubChem CID20677458
Molecular FormulaC11H18NOP
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name4-cyclohexa-1,5-dien-1-yl-1-phosphanylpiperidin-3-ol
SMILESOC1CN(P)CCC1C1=CCCC=C1
InChIInChI=1S/C11H18NOP/c13-11-8-12(14)7-6-10(11)9-4-2-1-3-5-9/h2,4-5,10-11,13H,1,3,6-8,14H2
InChIKeyKYSXVFFFPVKYTG-UHFFFAOYSA-N
XLogP1.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-cyclohexa-1,5-dien-1-yl-1-phosphanylpiperidin-3-ol with MolForge

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Launch Full Analysis

Related Compounds

Cambridge id 5426897
CID 2845911
4-Hexa-1,3,5-trien-3-ylpiperidin-3-ol
CID 123244966
ethane;(3S,4S)-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperidin-3-ol
CID 141884083
(3R)-4-[(3Z,5Z)-6-methylocta-1,3,5,7-tetraen-2-yl]piperidin-3-ol
CID 155107795
(3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-ol
CID 783068
(3S)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-3-ol
CID 1376395
(3S)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-ol
CID 7445319
(3R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-3-ol
CID 124671156
(3S,4S)-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperidin-3-ol
CID 141884084

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yl-1-phosphanylpiperidin-3-ol?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yl-1-phosphanylpiperidin-3-ol (CID 20677458) is 4-cyclohexa-1,5-dien-1-yl-1-phosphanylpiperidin-3-ol.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yl-1-phosphanylpiperidin-3-ol?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yl-1-phosphanylpiperidin-3-ol is OC1CN(P)CCC1C1=CCCC=C1.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yl-1-phosphanylpiperidin-3-ol?
The InChIKey is KYSXVFFFPVKYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NOP/c13-11-8-12(14)7-6-10(11)9-4-2-1-3-5-9/h2,4-5,10-11,13H,1,3,6-8,14H2.
What are the key properties of 4-cyclohexa-1,5-dien-1-yl-1-phosphanylpiperidin-3-ol?
4-cyclohexa-1,5-dien-1-yl-1-phosphanylpiperidin-3-ol has a molecular weight of 211.24 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yl-1-phosphanylpiperidin-3-ol is sourced from PubChem (CID 20677458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).