5-(pyridin-4-ylmethyl)-5-azatetracyclo[7.2.1.04,11.06,10]dodecane

C17H22N2 — CID 42630379

IUPAC5-(pyridin-4-ylmethyl)-5-azatetracyclo[7.2.1.04,11.06,10]dodecane
SMILESc1cc(CN2C3CCC4CC5CCC2C5C43)ccn1
InChIInChI=1S/C17H22N2/c1-3-14-16-12(1)9-13-2-4-15(17(13)16)19(14)10-11-5-7-18-8-6-11/h5-8,12-17H,1-4,9-10H2
InChIKeyQVKCYHRINULMAY-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.09
Rot. Bonds2

About 5-(pyridin-4-ylmethyl)-5-azatetracyclo[7.2.1.04,11.06,10]dodecane

5-(pyridin-4-ylmethyl)-5-azatetracyclo[7.2.1.04,11.06,10]dodecane (PubChem CID 42630379) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 5-(pyridin-4-ylmethyl)-5-azatetracyclo[7.2.1.04,11.06,10]dodecane.

Molecular Properties

Compound Name5-(pyridin-4-ylmethyl)-5-azatetracyclo[7.2.1.04,11.06,10]dodecane
PubChem CID42630379
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name5-(pyridin-4-ylmethyl)-5-azatetracyclo[7.2.1.04,11.06,10]dodecane
SMILESc1cc(CN2C3CCC4CC5CCC2C5C43)ccn1
InChIInChI=1S/C17H22N2/c1-3-14-16-12(1)9-13-2-4-15(17(13)16)19(14)10-11-5-7-18-8-6-11/h5-8,12-17H,1-4,9-10H2
InChIKeyQVKCYHRINULMAY-UHFFFAOYSA-N
XLogP3.09
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-4-ylmethyl)-5-azatetracyclo[7.2.1.04,11.06,10]dodecane?
The IUPAC name of 5-(pyridin-4-ylmethyl)-5-azatetracyclo[7.2.1.04,11.06,10]dodecane (CID 42630379) is 5-(pyridin-4-ylmethyl)-5-azatetracyclo[7.2.1.04,11.06,10]dodecane.
What is the SMILES notation for 5-(pyridin-4-ylmethyl)-5-azatetracyclo[7.2.1.04,11.06,10]dodecane?
The canonical SMILES for 5-(pyridin-4-ylmethyl)-5-azatetracyclo[7.2.1.04,11.06,10]dodecane is c1cc(CN2C3CCC4CC5CCC2C5C43)ccn1.
What is the InChIKey of 5-(pyridin-4-ylmethyl)-5-azatetracyclo[7.2.1.04,11.06,10]dodecane?
The InChIKey is QVKCYHRINULMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-3-14-16-12(1)9-13-2-4-15(17(13)16)19(14)10-11-5-7-18-8-6-11/h5-8,12-17H,1-4,9-10H2.
What are the key properties of 5-(pyridin-4-ylmethyl)-5-azatetracyclo[7.2.1.04,11.06,10]dodecane?
5-(pyridin-4-ylmethyl)-5-azatetracyclo[7.2.1.04,11.06,10]dodecane has a molecular weight of 254.38 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-4-ylmethyl)-5-azatetracyclo[7.2.1.04,11.06,10]dodecane is sourced from PubChem (CID 42630379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).