1-(1-tricyclo[6.2.2.02,7]dodeca-2,4,6-trienyl)piperidine

C17H23N — CID 10354345

IUPAC1-(1-tricyclo[6.2.2.02,7]dodeca-2,4,6-trienyl)piperidine
SMILESc1ccc2c(c1)C1CCC2(N2CCCCC2)CC1
InChIInChI=1S/C17H23N/c1-4-12-18(13-5-1)17-10-8-14(9-11-17)15-6-2-3-7-16(15)17/h2-3,6-7,14H,1,4-5,8-13H2
InChIKeyJWTHYVLGIZRPGR-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.04
Rot. Bonds1

About 1-(1-tricyclo[6.2.2.02,7]dodeca-2,4,6-trienyl)piperidine

1-(1-tricyclo[6.2.2.02,7]dodeca-2,4,6-trienyl)piperidine (PubChem CID 10354345) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-(1-tricyclo[6.2.2.02,7]dodeca-2,4,6-trienyl)piperidine.

Molecular Properties

Compound Name1-(1-tricyclo[6.2.2.02,7]dodeca-2,4,6-trienyl)piperidine
PubChem CID10354345
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name1-(1-tricyclo[6.2.2.02,7]dodeca-2,4,6-trienyl)piperidine
SMILESc1ccc2c(c1)C1CCC2(N2CCCCC2)CC1
InChIInChI=1S/C17H23N/c1-4-12-18(13-5-1)17-10-8-14(9-11-17)15-6-2-3-7-16(15)17/h2-3,6-7,14H,1,4-5,8-13H2
InChIKeyJWTHYVLGIZRPGR-UHFFFAOYSA-N
XLogP4.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-tricyclo[6.2.2.02,7]dodeca-2,4,6-trienyl)piperidine?
The IUPAC name of 1-(1-tricyclo[6.2.2.02,7]dodeca-2,4,6-trienyl)piperidine (CID 10354345) is 1-(1-tricyclo[6.2.2.02,7]dodeca-2,4,6-trienyl)piperidine.
What is the SMILES notation for 1-(1-tricyclo[6.2.2.02,7]dodeca-2,4,6-trienyl)piperidine?
The canonical SMILES for 1-(1-tricyclo[6.2.2.02,7]dodeca-2,4,6-trienyl)piperidine is c1ccc2c(c1)C1CCC2(N2CCCCC2)CC1.
What is the InChIKey of 1-(1-tricyclo[6.2.2.02,7]dodeca-2,4,6-trienyl)piperidine?
The InChIKey is JWTHYVLGIZRPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-4-12-18(13-5-1)17-10-8-14(9-11-17)15-6-2-3-7-16(15)17/h2-3,6-7,14H,1,4-5,8-13H2.
What are the key properties of 1-(1-tricyclo[6.2.2.02,7]dodeca-2,4,6-trienyl)piperidine?
1-(1-tricyclo[6.2.2.02,7]dodeca-2,4,6-trienyl)piperidine has a molecular weight of 241.38 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tricyclo[6.2.2.02,7]dodeca-2,4,6-trienyl)piperidine is sourced from PubChem (CID 10354345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).