(1S,2S,4S)-1,7,7-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol

C15H21NO — CID 51012172

IUPAC(1S,2S,4S)-1,7,7-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@H]2CC[C@]1(C)[C@](O)(c1ccccn1)C2
InChIInChI=1S/C15H21NO/c1-13(2)11-7-8-14(13,3)15(17,10-11)12-6-4-5-9-16-12/h4-6,9,11,17H,7-8,10H2,1-3H3/t11-,14-,15+/m0/s1
InChIKeyWUPYCTDTAKFJQT-TUKIKUTGSA-N
MW231.34 g/mol
LogP3.12
Rot. Bonds1

About (1S,2S,4S)-1,7,7-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol

(1S,2S,4S)-1,7,7-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol (PubChem CID 51012172) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (1S,2S,4S)-1,7,7-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1S,2S,4S)-1,7,7-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol
PubChem CID51012172
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(1S,2S,4S)-1,7,7-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@H]2CC[C@]1(C)[C@](O)(c1ccccn1)C2
InChIInChI=1S/C15H21NO/c1-13(2)11-7-8-14(13,3)15(17,10-11)12-6-4-5-9-16-12/h4-6,9,11,17H,7-8,10H2,1-3H3/t11-,14-,15+/m0/s1
InChIKeyWUPYCTDTAKFJQT-TUKIKUTGSA-N
XLogP3.12
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-1,7,7-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1S,2S,4S)-1,7,7-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol (CID 51012172) is (1S,2S,4S)-1,7,7-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1S,2S,4S)-1,7,7-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1S,2S,4S)-1,7,7-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol is CC1(C)[C@H]2CC[C@]1(C)[C@](O)(c1ccccn1)C2.
What is the InChIKey of (1S,2S,4S)-1,7,7-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is WUPYCTDTAKFJQT-TUKIKUTGSA-N. The full InChI is InChI=1S/C15H21NO/c1-13(2)11-7-8-14(13,3)15(17,10-11)12-6-4-5-9-16-12/h4-6,9,11,17H,7-8,10H2,1-3H3/t11-,14-,15+/m0/s1.
What are the key properties of (1S,2S,4S)-1,7,7-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol?
(1S,2S,4S)-1,7,7-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 231.34 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-1,7,7-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 51012172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).