1-[(3,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]piperidine

C14H23N — CID 58801218

IUPAC1-[(3,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]piperidine
SMILESCC1C=CC(CN2CCCCC2)=CC1C
InChIInChI=1S/C14H23N/c1-12-6-7-14(10-13(12)2)11-15-8-4-3-5-9-15/h6-7,10,12-13H,3-5,8-9,11H2,1-2H3
InChIKeyTXRQYPXRDXUNPK-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.24
Rot. Bonds2

About 1-[(3,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]piperidine

1-[(3,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]piperidine (PubChem CID 58801218) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 1-[(3,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(3,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]piperidine
PubChem CID58801218
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name1-[(3,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]piperidine
SMILESCC1C=CC(CN2CCCCC2)=CC1C
InChIInChI=1S/C14H23N/c1-12-6-7-14(10-13(12)2)11-15-8-4-3-5-9-15/h6-7,10,12-13H,3-5,8-9,11H2,1-2H3
InChIKeyTXRQYPXRDXUNPK-UHFFFAOYSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]piperidine?
The IUPAC name of 1-[(3,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]piperidine (CID 58801218) is 1-[(3,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]piperidine.
What is the SMILES notation for 1-[(3,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]piperidine?
The canonical SMILES for 1-[(3,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]piperidine is CC1C=CC(CN2CCCCC2)=CC1C.
What is the InChIKey of 1-[(3,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]piperidine?
The InChIKey is TXRQYPXRDXUNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-12-6-7-14(10-13(12)2)11-15-8-4-3-5-9-15/h6-7,10,12-13H,3-5,8-9,11H2,1-2H3.
What are the key properties of 1-[(3,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]piperidine?
1-[(3,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]piperidine has a molecular weight of 205.34 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]piperidine is sourced from PubChem (CID 58801218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).