1,3,3-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol

C15H21NO — CID 73079214

IUPAC1,3,3-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol
SMILESCC12CCC(C1)C(C)(C)C2(O)c1ccccn1
InChIInChI=1S/C15H21NO/c1-13(2)11-7-8-14(3,10-11)15(13,17)12-6-4-5-9-16-12/h4-6,9,11,17H,7-8,10H2,1-3H3
InChIKeyOZEUZKGNVGYHPN-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.12
Rot. Bonds1

About 1,3,3-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol

1,3,3-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol (PubChem CID 73079214) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name1,3,3-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol
PubChem CID73079214
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1,3,3-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol
SMILESCC12CCC(C1)C(C)(C)C2(O)c1ccccn1
InChIInChI=1S/C15H21NO/c1-13(2)11-7-8-14(3,10-11)15(13,17)12-6-4-5-9-16-12/h4-6,9,11,17H,7-8,10H2,1-3H3
InChIKeyOZEUZKGNVGYHPN-UHFFFAOYSA-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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Launch Full Analysis

Related Compounds

Doxylamine alcohol
CID 86883
(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1R)-1-hydroxy-1-pyridin-2-ylethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 49863858
(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
(3S,8R,9S,10S,13S,14S,17S)-17-(1-hydroxy-1-pyridin-2-ylethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 76322295
trans-(1S,3R)-1-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 127043869
cis-(1R,3R)-1-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 127043870
trans-(1R,3S)-1-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 127044467
cis-(1S,3S)-1-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 127045425
alpha-(2-(1-Pyrrolidinyl)ethyl)-alpha-(p-tolyl)pyridine-2-methanol
CID 11970576
2-Pyridinemethanol, alpha-ethyl-alpha-methyl-
CID 106761
(3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-(pyridin-2-ylmethyl)-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
CID 66574395
3-Azatetracyclo[7.6.1.0(2,7).0(10,15)]hexadeca-2(7),3,5,10(15),11,13-hexaen-1-ol
CID 3151294

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 1,3,3-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol (CID 73079214) is 1,3,3-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 1,3,3-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 1,3,3-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol is CC12CCC(C1)C(C)(C)C2(O)c1ccccn1.
What is the InChIKey of 1,3,3-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is OZEUZKGNVGYHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-13(2)11-7-8-14(3,10-11)15(13,17)12-6-4-5-9-16-12/h4-6,9,11,17H,7-8,10H2,1-3H3.
What are the key properties of 1,3,3-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol?
1,3,3-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 1,3,3-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 73079214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).