1,3,3-trimethyl-2-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-ol

C16H23NO — CID 113446853

IUPAC1,3,3-trimethyl-2-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-ol
SMILESCC12CCC(C1)C(C)(C)C2(O)Cc1cccnc1
InChIInChI=1S/C16H23NO/c1-14(2)13-6-7-15(3,10-13)16(14,18)9-12-5-4-8-17-11-12/h4-5,8,11,13,18H,6-7,9-10H2,1-3H3
InChIKeyIQBQLPMGPWUGND-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.20
Rot. Bonds2

About 1,3,3-trimethyl-2-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-ol

1,3,3-trimethyl-2-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-ol (PubChem CID 113446853) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name1,3,3-trimethyl-2-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-ol
PubChem CID113446853
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1,3,3-trimethyl-2-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-ol
SMILESCC12CCC(C1)C(C)(C)C2(O)Cc1cccnc1
InChIInChI=1S/C16H23NO/c1-14(2)13-6-7-15(3,10-13)16(14,18)9-12-5-4-8-17-11-12/h4-5,8,11,13,18H,6-7,9-10H2,1-3H3
InChIKeyIQBQLPMGPWUGND-UHFFFAOYSA-N
XLogP3.20
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 1,3,3-trimethyl-2-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-ol (CID 113446853) is 1,3,3-trimethyl-2-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 1,3,3-trimethyl-2-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 1,3,3-trimethyl-2-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-ol is CC12CCC(C1)C(C)(C)C2(O)Cc1cccnc1.
What is the InChIKey of 1,3,3-trimethyl-2-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is IQBQLPMGPWUGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-14(2)13-6-7-15(3,10-13)16(14,18)9-12-5-4-8-17-11-12/h4-5,8,11,13,18H,6-7,9-10H2,1-3H3.
What are the key properties of 1,3,3-trimethyl-2-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-ol?
1,3,3-trimethyl-2-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 245.37 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 113446853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).