4-(3-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine

C13H19NO — CID 145214193

IUPAC4-(3-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine
SMILESCC1C=CC=CC(OC2CCNCC2)=C1
InChIInChI=1S/C13H19NO/c1-11-4-2-3-5-13(10-11)15-12-6-8-14-9-7-12/h2-5,10-12,14H,6-9H2,1H3
InChIKeyMFYNKZDZHSVSNX-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.40
Rot. Bonds2

About 4-(3-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine

4-(3-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine (PubChem CID 145214193) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(3-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine.

Molecular Properties

Compound Name4-(3-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine
PubChem CID145214193
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-(3-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine
SMILESCC1C=CC=CC(OC2CCNCC2)=C1
InChIInChI=1S/C13H19NO/c1-11-4-2-3-5-13(10-11)15-12-6-8-14-9-7-12/h2-5,10-12,14H,6-9H2,1H3
InChIKeyMFYNKZDZHSVSNX-UHFFFAOYSA-N
XLogP2.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine?
The IUPAC name of 4-(3-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine (CID 145214193) is 4-(3-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine.
What is the SMILES notation for 4-(3-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine?
The canonical SMILES for 4-(3-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine is CC1C=CC=CC(OC2CCNCC2)=C1.
What is the InChIKey of 4-(3-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine?
The InChIKey is MFYNKZDZHSVSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-4-2-3-5-13(10-11)15-12-6-8-14-9-7-12/h2-5,10-12,14H,6-9H2,1H3.
What are the key properties of 4-(3-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine?
4-(3-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine has a molecular weight of 205.30 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine is sourced from PubChem (CID 145214193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).