1-(3,3-dimethyl-5-piperidin-1-ylcyclohexa-1,5-dien-1-yl)piperidine

C18H30N2 — CID 13211652

IUPAC1-(3,3-dimethyl-5-piperidin-1-ylcyclohexa-1,5-dien-1-yl)piperidine
SMILESCC1(C)C=C(N2CCCCC2)C=C(N2CCCCC2)C1
InChIInChI=1S/C18H30N2/c1-18(2)14-16(19-9-5-3-6-10-19)13-17(15-18)20-11-7-4-8-12-20/h13-14H,3-12,15H2,1-2H3
InChIKeyVEJZAXQCKFQEFQ-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.16
Rot. Bonds2

About 1-(3,3-dimethyl-5-piperidin-1-ylcyclohexa-1,5-dien-1-yl)piperidine

1-(3,3-dimethyl-5-piperidin-1-ylcyclohexa-1,5-dien-1-yl)piperidine (PubChem CID 13211652) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(3,3-dimethyl-5-piperidin-1-ylcyclohexa-1,5-dien-1-yl)piperidine.

Molecular Properties

Compound Name1-(3,3-dimethyl-5-piperidin-1-ylcyclohexa-1,5-dien-1-yl)piperidine
PubChem CID13211652
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(3,3-dimethyl-5-piperidin-1-ylcyclohexa-1,5-dien-1-yl)piperidine
SMILESCC1(C)C=C(N2CCCCC2)C=C(N2CCCCC2)C1
InChIInChI=1S/C18H30N2/c1-18(2)14-16(19-9-5-3-6-10-19)13-17(15-18)20-11-7-4-8-12-20/h13-14H,3-12,15H2,1-2H3
InChIKeyVEJZAXQCKFQEFQ-UHFFFAOYSA-N
XLogP4.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-5-piperidin-1-ylcyclohexa-1,5-dien-1-yl)piperidine?
The IUPAC name of 1-(3,3-dimethyl-5-piperidin-1-ylcyclohexa-1,5-dien-1-yl)piperidine (CID 13211652) is 1-(3,3-dimethyl-5-piperidin-1-ylcyclohexa-1,5-dien-1-yl)piperidine.
What is the SMILES notation for 1-(3,3-dimethyl-5-piperidin-1-ylcyclohexa-1,5-dien-1-yl)piperidine?
The canonical SMILES for 1-(3,3-dimethyl-5-piperidin-1-ylcyclohexa-1,5-dien-1-yl)piperidine is CC1(C)C=C(N2CCCCC2)C=C(N2CCCCC2)C1.
What is the InChIKey of 1-(3,3-dimethyl-5-piperidin-1-ylcyclohexa-1,5-dien-1-yl)piperidine?
The InChIKey is VEJZAXQCKFQEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-18(2)14-16(19-9-5-3-6-10-19)13-17(15-18)20-11-7-4-8-12-20/h13-14H,3-12,15H2,1-2H3.
What are the key properties of 1-(3,3-dimethyl-5-piperidin-1-ylcyclohexa-1,5-dien-1-yl)piperidine?
1-(3,3-dimethyl-5-piperidin-1-ylcyclohexa-1,5-dien-1-yl)piperidine has a molecular weight of 274.45 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-5-piperidin-1-ylcyclohexa-1,5-dien-1-yl)piperidine is sourced from PubChem (CID 13211652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).