(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-piperazin-1-ylmethanone

C14H24N2O2 — CID 102547272

IUPAC(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-piperazin-1-ylmethanone
SMILESCC1(C)C2CCC1(C(=O)N1CCNCC1)C(O)C2
InChIInChI=1S/C14H24N2O2/c1-13(2)10-3-4-14(13,11(17)9-10)12(18)16-7-5-15-6-8-16/h10-11,15,17H,3-9H2,1-2H3
InChIKeyUHJMLYDSMGHPOM-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.61
Rot. Bonds1

About (2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-piperazin-1-ylmethanone

(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-piperazin-1-ylmethanone (PubChem CID 102547272) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-piperazin-1-ylmethanone
PubChem CID102547272
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-piperazin-1-ylmethanone
SMILESCC1(C)C2CCC1(C(=O)N1CCNCC1)C(O)C2
InChIInChI=1S/C14H24N2O2/c1-13(2)10-3-4-14(13,11(17)9-10)12(18)16-7-5-15-6-8-16/h10-11,15,17H,3-9H2,1-2H3
InChIKeyUHJMLYDSMGHPOM-UHFFFAOYSA-N
XLogP0.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,2R,4S)-2-hydroxy-3,3-dimethyl-1-bicyclo[2.2.1]heptanyl]-piperazin-1-ylmethanone
CID 97033345
(1S,4R)-3,3-dimethyl-1-(piperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
CID 98468531
(1R,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid
CID 55268536
(1S,3R,4S)-3-bromo-1,7,7-trimethyl-4-(piperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
CID 98908328
1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;urea
CID 170163545
4-hydroxy-4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 54557086
1-adamantyl(piperazin-1-yl)methanone;hydrochloride
CID 17233942
[4-(methylamino)piperidin-4-yl]-piperazin-1-ylmethanone
CID 82509909
[(3S)-3-hydroxypyrrolidin-1-yl]-(4-methylpiperidin-4-yl)methanone
CID 107217447
(4-methylpiperidin-4-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103840374
hydron;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174883808
azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174585091

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-piperazin-1-ylmethanone?
The IUPAC name of (2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-piperazin-1-ylmethanone (CID 102547272) is (2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-piperazin-1-ylmethanone.
What is the SMILES notation for (2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-piperazin-1-ylmethanone?
The canonical SMILES for (2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-piperazin-1-ylmethanone is CC1(C)C2CCC1(C(=O)N1CCNCC1)C(O)C2.
What is the InChIKey of (2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-piperazin-1-ylmethanone?
The InChIKey is UHJMLYDSMGHPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-13(2)10-3-4-14(13,11(17)9-10)12(18)16-7-5-15-6-8-16/h10-11,15,17H,3-9H2,1-2H3.
What are the key properties of (2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-piperazin-1-ylmethanone?
(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-piperazin-1-ylmethanone has a molecular weight of 252.36 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-piperazin-1-ylmethanone is sourced from PubChem (CID 102547272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).