3-hydroxy-7,7-dimethyl-1-(piperidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one

C15H25NO2 — CID 174852568

IUPAC3-hydroxy-7,7-dimethyl-1-(piperidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one
SMILESCC1(C)C2CCC1(CN1CCCCC1)C(=O)C2O
InChIInChI=1S/C15H25NO2/c1-14(2)11-6-7-15(14,13(18)12(11)17)10-16-8-4-3-5-9-16/h11-12,17H,3-10H2,1-2H3
InChIKeyLLVQYZSIGWYABP-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.84
Rot. Bonds2

About 3-hydroxy-7,7-dimethyl-1-(piperidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one

3-hydroxy-7,7-dimethyl-1-(piperidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one (PubChem CID 174852568) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-hydroxy-7,7-dimethyl-1-(piperidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name3-hydroxy-7,7-dimethyl-1-(piperidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one
PubChem CID174852568
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-hydroxy-7,7-dimethyl-1-(piperidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one
SMILESCC1(C)C2CCC1(CN1CCCCC1)C(=O)C2O
InChIInChI=1S/C15H25NO2/c1-14(2)11-6-7-15(14,13(18)12(11)17)10-16-8-4-3-5-9-16/h11-12,17H,3-10H2,1-2H3
InChIKeyLLVQYZSIGWYABP-UHFFFAOYSA-N
XLogP1.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,3S)-3-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 131181862
1,7,7-trimethyl-3-(piperidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one
CID 3628449
N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-(3-hydroxy-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide
CID 161240613
2,2-dimethyl-5-(piperidin-1-ylmethyl)cyclopentan-1-one
CID 79866261
(1R,3R,4R)-3-hydroxy-7,7-dimethyl-1-[(2R)-oxiran-2-yl]bicyclo[2.2.1]heptan-2-one
CID 98167982
azane;[(1S,3S,4S)-3-bromo-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid
CID 170844552
(3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one
CID 42363388
[(1S,3S,4S)-3-bromo-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonate
CID 7017192
(1S,4S)-3-bromo-1,7-bis(bromomethyl)-7-methylbicyclo[2.2.1]heptan-2-one
CID 22831477
3-bromo-1,7-bis(bromomethyl)-7-methylbicyclo[2.2.1]heptan-2-one
CID 543376
(1R,3R,4S,7R)-3-bromo-1,7-bis(bromomethyl)-7-methylbicyclo[2.2.1]heptan-2-one
CID 98135386
[5,13-dihydroxy-6,10-dimethyl-5-(piperidin-1-ylmethyl)-17-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl]-phenylmethanone
CID 4049418

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-7,7-dimethyl-1-(piperidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one?
The IUPAC name of 3-hydroxy-7,7-dimethyl-1-(piperidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one (CID 174852568) is 3-hydroxy-7,7-dimethyl-1-(piperidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 3-hydroxy-7,7-dimethyl-1-(piperidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 3-hydroxy-7,7-dimethyl-1-(piperidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one is CC1(C)C2CCC1(CN1CCCCC1)C(=O)C2O.
What is the InChIKey of 3-hydroxy-7,7-dimethyl-1-(piperidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one?
The InChIKey is LLVQYZSIGWYABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-14(2)11-6-7-15(14,13(18)12(11)17)10-16-8-4-3-5-9-16/h11-12,17H,3-10H2,1-2H3.
What are the key properties of 3-hydroxy-7,7-dimethyl-1-(piperidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one?
3-hydroxy-7,7-dimethyl-1-(piperidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one has a molecular weight of 251.37 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-7,7-dimethyl-1-(piperidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 174852568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).