4-(2-phenylmethoxycyclohexyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine

C20H30N2O — CID 102571381

IUPAC4-(2-phenylmethoxycyclohexyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
SMILESc1ccc(COC2CCCCC2N2CCNC3CCCC32)cc1
InChIInChI=1S/C20H30N2O/c1-2-7-16(8-3-1)15-23-20-12-5-4-10-19(20)22-14-13-21-17-9-6-11-18(17)22/h1-3,7-8,17-21H,4-6,9-15H2
InChIKeyAOIYHYXUOPSXOB-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.34
Rot. Bonds4

About 4-(2-phenylmethoxycyclohexyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine

4-(2-phenylmethoxycyclohexyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine (PubChem CID 102571381) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 4-(2-phenylmethoxycyclohexyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine.

Molecular Properties

Compound Name4-(2-phenylmethoxycyclohexyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
PubChem CID102571381
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name4-(2-phenylmethoxycyclohexyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
SMILESc1ccc(COC2CCCCC2N2CCNC3CCCC32)cc1
InChIInChI=1S/C20H30N2O/c1-2-7-16(8-3-1)15-23-20-12-5-4-10-19(20)22-14-13-21-17-9-6-11-18(17)22/h1-3,7-8,17-21H,4-6,9-15H2
InChIKeyAOIYHYXUOPSXOB-UHFFFAOYSA-N
XLogP3.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
(4aS,8aR)-4-[(1R,2R)-2-(2-methylphenoxy)cyclohexyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 129413171
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
2-[(1S,2R)-2-phenylmethoxycyclopentyl]isoindole-1,3-dione
CID 68810098
(3R)-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrrolidin-3-amine
CID 59556083
[(1R,2R)-2-phenylmethoxycyclopentyl]azanium
CID 11863648
4-benzyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline;pyrrolidine
CID 144745554
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565
trans-(1R,2R)-N-methyl-2-phenylmethoxycyclopentan-1-amine
CID 58216107
(2R)-1-benzyl-2-[(2R)-pyrrolidin-2-yl]piperidine
CID 124710332
(1S,7R)-2-benzyl-2,8-diazabicyclo[5.5.0]dodecane
CID 178143612
[(1S,2S)-2-isocyanatocyclopentyl]oxymethylbenzene
CID 11863571

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylmethoxycyclohexyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine?
The IUPAC name of 4-(2-phenylmethoxycyclohexyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine (CID 102571381) is 4-(2-phenylmethoxycyclohexyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine.
What is the SMILES notation for 4-(2-phenylmethoxycyclohexyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine?
The canonical SMILES for 4-(2-phenylmethoxycyclohexyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine is c1ccc(COC2CCCCC2N2CCNC3CCCC32)cc1.
What is the InChIKey of 4-(2-phenylmethoxycyclohexyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine?
The InChIKey is AOIYHYXUOPSXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-2-7-16(8-3-1)15-23-20-12-5-4-10-19(20)22-14-13-21-17-9-6-11-18(17)22/h1-3,7-8,17-21H,4-6,9-15H2.
What are the key properties of 4-(2-phenylmethoxycyclohexyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine?
4-(2-phenylmethoxycyclohexyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine has a molecular weight of 314.47 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylmethoxycyclohexyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine is sourced from PubChem (CID 102571381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).