1-(3,5,5-trimethylcyclohexa-1,3-dien-1-yl)piperidine

C14H23N — CID 67556456

IUPAC1-(3,5,5-trimethylcyclohexa-1,3-dien-1-yl)piperidine
SMILESCC1=CC(C)(C)CC(N2CCCCC2)=C1
InChIInChI=1S/C14H23N/c1-12-9-13(11-14(2,3)10-12)15-7-5-4-6-8-15/h9-10H,4-8,11H2,1-3H3
InChIKeyHKWWRHZRFCKLBO-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.73
Rot. Bonds1

About 1-(3,5,5-trimethylcyclohexa-1,3-dien-1-yl)piperidine

1-(3,5,5-trimethylcyclohexa-1,3-dien-1-yl)piperidine (PubChem CID 67556456) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 1-(3,5,5-trimethylcyclohexa-1,3-dien-1-yl)piperidine.

Molecular Properties

Compound Name1-(3,5,5-trimethylcyclohexa-1,3-dien-1-yl)piperidine
PubChem CID67556456
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name1-(3,5,5-trimethylcyclohexa-1,3-dien-1-yl)piperidine
SMILESCC1=CC(C)(C)CC(N2CCCCC2)=C1
InChIInChI=1S/C14H23N/c1-12-9-13(11-14(2,3)10-12)15-7-5-4-6-8-15/h9-10H,4-8,11H2,1-3H3
InChIKeyHKWWRHZRFCKLBO-UHFFFAOYSA-N
XLogP3.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5,5-trimethylcyclohexa-1,3-dien-1-yl)piperidine?
The IUPAC name of 1-(3,5,5-trimethylcyclohexa-1,3-dien-1-yl)piperidine (CID 67556456) is 1-(3,5,5-trimethylcyclohexa-1,3-dien-1-yl)piperidine.
What is the SMILES notation for 1-(3,5,5-trimethylcyclohexa-1,3-dien-1-yl)piperidine?
The canonical SMILES for 1-(3,5,5-trimethylcyclohexa-1,3-dien-1-yl)piperidine is CC1=CC(C)(C)CC(N2CCCCC2)=C1.
What is the InChIKey of 1-(3,5,5-trimethylcyclohexa-1,3-dien-1-yl)piperidine?
The InChIKey is HKWWRHZRFCKLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-12-9-13(11-14(2,3)10-12)15-7-5-4-6-8-15/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 1-(3,5,5-trimethylcyclohexa-1,3-dien-1-yl)piperidine?
1-(3,5,5-trimethylcyclohexa-1,3-dien-1-yl)piperidine has a molecular weight of 205.34 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5,5-trimethylcyclohexa-1,3-dien-1-yl)piperidine is sourced from PubChem (CID 67556456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).