1-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine

C14H23NO — CID 143349257

IUPAC1-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
SMILESCC1=CC(OCCN2CCCCC2)=CCC1
InChIInChI=1S/C14H23NO/c1-13-6-5-7-14(12-13)16-11-10-15-8-3-2-4-9-15/h7,12H,2-6,8-11H2,1H3
InChIKeyXFTCNXYAPIHIIG-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.11
Rot. Bonds4

About 1-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine

1-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine (PubChem CID 143349257) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine.

Molecular Properties

Compound Name1-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
PubChem CID143349257
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
SMILESCC1=CC(OCCN2CCCCC2)=CCC1
InChIInChI=1S/C14H23NO/c1-13-6-5-7-14(12-13)16-11-10-15-8-3-2-4-9-15/h7,12H,2-6,8-11H2,1H3
InChIKeyXFTCNXYAPIHIIG-UHFFFAOYSA-N
XLogP3.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(6-Fluoro-4-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
CID 117975502
1-[2-(6-Fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
CID 173164077
1-[3-(5-Fluorocyclohexa-1,5-dien-1-yl)oxypropyl]piperidine
CID 173184242
1-[2-(2,6-Difluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
CID 173184277
1-[(4-Methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidine
CID 21283386
1-(2-Cyclohexa-1,5-dien-1-yloxyethyl)piperidine
CID 21959220
1-[1-[3-(5-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)prop-2-enoxy]propyl]piperidine
CID 69046520
4-Methyl-2-oct-2-en-2-ylmorpholine
CID 70610956
4-[(4-Methyl-6-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]morpholine
CID 71036342
1-[2-[(2E,4Z)-4-ethylhexa-2,4-dien-3-yl]oxyethyl]piperidine
CID 89584110
4-[Iodo-(6-methoxycyclohexa-1,5-dien-1-yl)methyl]-2,6-dimethylmorpholine
CID 89688693
4-[2-[1-(2-Methoxycyclohexa-1,5-dien-1-yl)ethoxy]ethyl]morpholine
CID 89688793

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine?
The IUPAC name of 1-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine (CID 143349257) is 1-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine.
What is the SMILES notation for 1-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine?
The canonical SMILES for 1-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine is CC1=CC(OCCN2CCCCC2)=CCC1.
What is the InChIKey of 1-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine?
The InChIKey is XFTCNXYAPIHIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-13-6-5-7-14(12-13)16-11-10-15-8-3-2-4-9-15/h7,12H,2-6,8-11H2,1H3.
What are the key properties of 1-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine?
1-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine has a molecular weight of 221.34 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine is sourced from PubChem (CID 143349257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).