1-methyl-3-[(3-methylcyclohexa-1,3-dien-1-yl)oxymethyl]piperidine

C14H23NO — CID 139565489

IUPAC1-methyl-3-[(3-methylcyclohexa-1,3-dien-1-yl)oxymethyl]piperidine
SMILESCC1=CCCC(OCC2CCCN(C)C2)=C1
InChIInChI=1S/C14H23NO/c1-12-5-3-7-14(9-12)16-11-13-6-4-8-15(2)10-13/h5,9,13H,3-4,6-8,10-11H2,1-2H3
InChIKeyPGWLYHRDYRIKMN-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.97
Rot. Bonds3

About 1-methyl-3-[(3-methylcyclohexa-1,3-dien-1-yl)oxymethyl]piperidine

1-methyl-3-[(3-methylcyclohexa-1,3-dien-1-yl)oxymethyl]piperidine (PubChem CID 139565489) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-methyl-3-[(3-methylcyclohexa-1,3-dien-1-yl)oxymethyl]piperidine.

Molecular Properties

Compound Name1-methyl-3-[(3-methylcyclohexa-1,3-dien-1-yl)oxymethyl]piperidine
PubChem CID139565489
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-methyl-3-[(3-methylcyclohexa-1,3-dien-1-yl)oxymethyl]piperidine
SMILESCC1=CCCC(OCC2CCCN(C)C2)=C1
InChIInChI=1S/C14H23NO/c1-12-5-3-7-14(9-12)16-11-13-6-4-8-15(2)10-13/h5,9,13H,3-4,6-8,10-11H2,1-2H3
InChIKeyPGWLYHRDYRIKMN-UHFFFAOYSA-N
XLogP2.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3-methylcyclohexa-1,3-dien-1-yl)oxymethyl]piperidine?
The IUPAC name of 1-methyl-3-[(3-methylcyclohexa-1,3-dien-1-yl)oxymethyl]piperidine (CID 139565489) is 1-methyl-3-[(3-methylcyclohexa-1,3-dien-1-yl)oxymethyl]piperidine.
What is the SMILES notation for 1-methyl-3-[(3-methylcyclohexa-1,3-dien-1-yl)oxymethyl]piperidine?
The canonical SMILES for 1-methyl-3-[(3-methylcyclohexa-1,3-dien-1-yl)oxymethyl]piperidine is CC1=CCCC(OCC2CCCN(C)C2)=C1.
What is the InChIKey of 1-methyl-3-[(3-methylcyclohexa-1,3-dien-1-yl)oxymethyl]piperidine?
The InChIKey is PGWLYHRDYRIKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-12-5-3-7-14(9-12)16-11-13-6-4-8-15(2)10-13/h5,9,13H,3-4,6-8,10-11H2,1-2H3.
What are the key properties of 1-methyl-3-[(3-methylcyclohexa-1,3-dien-1-yl)oxymethyl]piperidine?
1-methyl-3-[(3-methylcyclohexa-1,3-dien-1-yl)oxymethyl]piperidine has a molecular weight of 221.34 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3-methylcyclohexa-1,3-dien-1-yl)oxymethyl]piperidine is sourced from PubChem (CID 139565489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).