[4-(3-methylcyclohexa-1,5-dien-1-yl)oxypiperidin-1-yl]phosphane

C12H20NOP — CID 71188425

IUPAC[4-(3-methylcyclohexa-1,5-dien-1-yl)oxypiperidin-1-yl]phosphane
SMILESCC1C=C(OC2CCN(P)CC2)C=CC1
InChIInChI=1S/C12H20NOP/c1-10-3-2-4-12(9-10)14-11-5-7-13(15)8-6-11/h2,4,9-11H,3,5-8,15H2,1H3
InChIKeyHRNKICDGIRFBMP-UHFFFAOYSA-N
MW225.27 g/mol
LogP2.74
Rot. Bonds2

About [4-(3-methylcyclohexa-1,5-dien-1-yl)oxypiperidin-1-yl]phosphane

[4-(3-methylcyclohexa-1,5-dien-1-yl)oxypiperidin-1-yl]phosphane (PubChem CID 71188425) has the molecular formula C12H20NOP and a molecular weight of 225.27 g/mol. Its IUPAC name is [4-(3-methylcyclohexa-1,5-dien-1-yl)oxypiperidin-1-yl]phosphane.

Molecular Properties

Compound Name[4-(3-methylcyclohexa-1,5-dien-1-yl)oxypiperidin-1-yl]phosphane
PubChem CID71188425
Molecular FormulaC12H20NOP
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name[4-(3-methylcyclohexa-1,5-dien-1-yl)oxypiperidin-1-yl]phosphane
SMILESCC1C=C(OC2CCN(P)CC2)C=CC1
InChIInChI=1S/C12H20NOP/c1-10-3-2-4-12(9-10)14-11-5-7-13(15)8-6-11/h2,4,9-11H,3,5-8,15H2,1H3
InChIKeyHRNKICDGIRFBMP-UHFFFAOYSA-N
XLogP2.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(3-methylcyclohexa-1,5-dien-1-yl)oxypiperidin-1-yl]phosphane?
The IUPAC name of [4-(3-methylcyclohexa-1,5-dien-1-yl)oxypiperidin-1-yl]phosphane (CID 71188425) is [4-(3-methylcyclohexa-1,5-dien-1-yl)oxypiperidin-1-yl]phosphane.
What is the SMILES notation for [4-(3-methylcyclohexa-1,5-dien-1-yl)oxypiperidin-1-yl]phosphane?
The canonical SMILES for [4-(3-methylcyclohexa-1,5-dien-1-yl)oxypiperidin-1-yl]phosphane is CC1C=C(OC2CCN(P)CC2)C=CC1.
What is the InChIKey of [4-(3-methylcyclohexa-1,5-dien-1-yl)oxypiperidin-1-yl]phosphane?
The InChIKey is HRNKICDGIRFBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20NOP/c1-10-3-2-4-12(9-10)14-11-5-7-13(15)8-6-11/h2,4,9-11H,3,5-8,15H2,1H3.
What are the key properties of [4-(3-methylcyclohexa-1,5-dien-1-yl)oxypiperidin-1-yl]phosphane?
[4-(3-methylcyclohexa-1,5-dien-1-yl)oxypiperidin-1-yl]phosphane has a molecular weight of 225.27 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylcyclohexa-1,5-dien-1-yl)oxypiperidin-1-yl]phosphane is sourced from PubChem (CID 71188425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).