[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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Related Compounds

1-[(2-Fluoro-6-methoxycyclohexa-2,4-dien-1-yl)methyl]piperidine
CID 144301902
1-[(3Z,5Z)-7-[(2E,4Z)-hepta-2,4-dien-3-yl]oxyocta-3,5-dienyl]-4-[4-[(1E,3Z,5E)-5-methylhepta-1,3,5-trienyl]cyclohexa-1,5-dien-1-yl]piperidine
CID 122651439
4-(3-Methylcyclohexa-1,5-dien-1-yl)oxy-1-propan-2-ylpiperidine
CID 132108728
1-Methyl-4-(5-methylcyclohepta-1,3,6-trien-1-yl)oxypiperidine
CID 141992259
4-Cyclohexa-1,5-dien-1-yloxy-1-methylpiperidine
CID 142327140
4-[(1Z,5Z,7Z)-4,6-dimethylcycloocta-1,5,7-trien-1-yl]oxy-1-methylpiperidine
CID 143093202
4-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxypiperidine
CID 143457436
4-Cyclohexa-1,5-dien-1-yloxy-1-methylpiperidine;ethane
CID 144279255
1-Tert-butyl-4-(3-methylcyclohexa-1,5-dien-1-yl)oxypiperidine
CID 146201419
1-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]piperidine
CID 164736932
1-[2-(3,4-Dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
CID 166648982
1-[3-(5-Methylcyclohexa-1,5-dien-1-yl)oxypropyl]piperidine
CID 173139461

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).