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

C16H23NO — CID 70289774

IUPAC1,2,3-trimethyl-3-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol
SMILESCC12CCC(C1)C(C)(Cc1ccccn1)C2(C)O
InChIInChI=1S/C16H23NO/c1-14-8-7-12(10-14)15(2,16(14,3)18)11-13-6-4-5-9-17-13/h4-6,9,12,18H,7-8,10-11H2,1-3H3
InChIKeyUPTWXBDATBCCFQ-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.20
Rot. Bonds2

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

1,2,3-trimethyl-3-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol (PubChem CID 70289774) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1,2,3-trimethyl-3-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name1,2,3-trimethyl-3-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol
PubChem CID70289774
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1,2,3-trimethyl-3-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol
SMILESCC12CCC(C1)C(C)(Cc1ccccn1)C2(C)O
InChIInChI=1S/C16H23NO/c1-14-8-7-12(10-14)15(2,16(14,3)18)11-13-6-4-5-9-17-13/h4-6,9,12,18H,7-8,10-11H2,1-3H3
InChIKeyUPTWXBDATBCCFQ-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

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

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Related Compounds

Abiraterone Impurity 89
CID 10247264
(8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-(pyridin-2-ylmethyl)-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ol
CID 66574334
(1R,3aS,7aS)-1-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-2-methyl-1,3,3a,4,5,6,7,7a-octahydroinden-2-ol
CID 76328107
(1S,3aS,5S,7aR)-1-[(E)-2-(dimethylamino)ethoxyiminomethyl]-7a-methyl-5-pyridin-4-yl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol
CID 10991584
US20230322846, Example 427
CID 146659424
US20230322846, Example 410
CID 146659900
US20230322846, Example 426
CID 146660129
US20230322846, Example 411
CID 153221642
US20230322846, Example 443
CID 167349843
US20230322846, Example 444
CID 167349898
(3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-(pyridin-2-ylmethyl)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
CID 16106502
(3E,8R,9S,10R,13S,14S,17R)-3-hydrazinylidene-10,13-dimethyl-17-(pyridin-2-ylmethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol
CID 72696629

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-3-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 1,2,3-trimethyl-3-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol (CID 70289774) is 1,2,3-trimethyl-3-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 1,2,3-trimethyl-3-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 1,2,3-trimethyl-3-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol is CC12CCC(C1)C(C)(Cc1ccccn1)C2(C)O.
What is the InChIKey of 1,2,3-trimethyl-3-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is UPTWXBDATBCCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-14-8-7-12(10-14)15(2,16(14,3)18)11-13-6-4-5-9-17-13/h4-6,9,12,18H,7-8,10-11H2,1-3H3.
What are the key properties of 1,2,3-trimethyl-3-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol?
1,2,3-trimethyl-3-(pyridin-2-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 1,2,3-trimethyl-3-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 70289774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).