[(1S,2R,4S)-2-hydroxy-3,3-dimethyl-1-bicyclo[2.2.1]heptanyl]-piperazin-1-ylmethanone

C14H24N2O2 — CID 97033345

IUPAC[(1S,2R,4S)-2-hydroxy-3,3-dimethyl-1-bicyclo[2.2.1]heptanyl]-piperazin-1-ylmethanone
SMILESCC1(C)[C@H]2CC[C@](C(=O)N3CCNCC3)(C2)[C@@H]1O
InChIInChI=1S/C14H24N2O2/c1-13(2)10-3-4-14(9-10,11(13)17)12(18)16-7-5-15-6-8-16/h10-11,15,17H,3-9H2,1-2H3/t10-,11+,14-/m0/s1
InChIKeyYVNWYOLVTQVMRX-WDMOLILDSA-N
MW252.36 g/mol
LogP0.61
Rot. Bonds1

About [(1S,2R,4S)-2-hydroxy-3,3-dimethyl-1-bicyclo[2.2.1]heptanyl]-piperazin-1-ylmethanone

[(1S,2R,4S)-2-hydroxy-3,3-dimethyl-1-bicyclo[2.2.1]heptanyl]-piperazin-1-ylmethanone (PubChem CID 97033345) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is [(1S,2R,4S)-2-hydroxy-3,3-dimethyl-1-bicyclo[2.2.1]heptanyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[(1S,2R,4S)-2-hydroxy-3,3-dimethyl-1-bicyclo[2.2.1]heptanyl]-piperazin-1-ylmethanone
PubChem CID97033345
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name[(1S,2R,4S)-2-hydroxy-3,3-dimethyl-1-bicyclo[2.2.1]heptanyl]-piperazin-1-ylmethanone
SMILESCC1(C)[C@H]2CC[C@](C(=O)N3CCNCC3)(C2)[C@@H]1O
InChIInChI=1S/C14H24N2O2/c1-13(2)10-3-4-14(9-10,11(13)17)12(18)16-7-5-15-6-8-16/h10-11,15,17H,3-9H2,1-2H3/t10-,11+,14-/m0/s1
InChIKeyYVNWYOLVTQVMRX-WDMOLILDSA-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

Analyze [(1S,2R,4S)-2-hydroxy-3,3-dimethyl-1-bicyclo[2.2.1]heptanyl]-piperazin-1-ylmethanone with MolForge

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Related Compounds

(1S,2R,4S)-2-hydroxy-N,N,3,3-tetramethylbicyclo[2.2.1]heptane-1-carboxamide
CID 124510978
(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-piperazin-1-ylmethanone
CID 102547272
(1S,4R)-3,3-dimethyl-1-(piperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
CID 98468531
(1-ethoxycyclopropyl)-piperazin-1-ylmethanone
CID 155895636
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
1-(4,4-dimethylazepan-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 65281989
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 81115688
(1-aminocyclopentyl)-piperazin-1-ylmethanone
CID 60868287

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,4S)-2-hydroxy-3,3-dimethyl-1-bicyclo[2.2.1]heptanyl]-piperazin-1-ylmethanone?
The IUPAC name of [(1S,2R,4S)-2-hydroxy-3,3-dimethyl-1-bicyclo[2.2.1]heptanyl]-piperazin-1-ylmethanone (CID 97033345) is [(1S,2R,4S)-2-hydroxy-3,3-dimethyl-1-bicyclo[2.2.1]heptanyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [(1S,2R,4S)-2-hydroxy-3,3-dimethyl-1-bicyclo[2.2.1]heptanyl]-piperazin-1-ylmethanone?
The canonical SMILES for [(1S,2R,4S)-2-hydroxy-3,3-dimethyl-1-bicyclo[2.2.1]heptanyl]-piperazin-1-ylmethanone is CC1(C)[C@H]2CC[C@](C(=O)N3CCNCC3)(C2)[C@@H]1O.
What is the InChIKey of [(1S,2R,4S)-2-hydroxy-3,3-dimethyl-1-bicyclo[2.2.1]heptanyl]-piperazin-1-ylmethanone?
The InChIKey is YVNWYOLVTQVMRX-WDMOLILDSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-13(2)10-3-4-14(9-10,11(13)17)12(18)16-7-5-15-6-8-16/h10-11,15,17H,3-9H2,1-2H3/t10-,11+,14-/m0/s1.
What are the key properties of [(1S,2R,4S)-2-hydroxy-3,3-dimethyl-1-bicyclo[2.2.1]heptanyl]-piperazin-1-ylmethanone?
[(1S,2R,4S)-2-hydroxy-3,3-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 [(1S,2R,4S)-2-hydroxy-3,3-dimethyl-1-bicyclo[2.2.1]heptanyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 97033345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).