trans-(1R,2R)-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-ol

C14H26N2O — CID 102734859

IUPACtrans-(1R,2R)-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-ol
SMILESCC1CN2CCCCC2CN1[C@@H]1CCC[C@H]1O
InChIInChI=1S/C14H26N2O/c1-11-9-15-8-3-2-5-12(15)10-16(11)13-6-4-7-14(13)17/h11-14,17H,2-10H2,1H3/t11?,12?,13-,14-/m1/s1
InChIKeySNGZBCCNPRISTG-NWINJMCUSA-N
MW238.37 g/mol
LogP1.46
Rot. Bonds1

About trans-(1R,2R)-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-ol

trans-(1R,2R)-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-ol (PubChem CID 102734859) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-ol
PubChem CID102734859
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Nametrans-(1R,2R)-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-ol
SMILESCC1CN2CCCCC2CN1[C@@H]1CCC[C@H]1O
InChIInChI=1S/C14H26N2O/c1-11-9-15-8-3-2-5-12(15)10-16(11)13-6-4-7-14(13)17/h11-14,17H,2-10H2,1H3/t11?,12?,13-,14-/m1/s1
InChIKeySNGZBCCNPRISTG-NWINJMCUSA-N
XLogP1.46
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-ol
CID 115824897
2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentane-1-carbonitrile
CID 79931664
N-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-amine
CID 79930958
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclopentane-1-carbonitrile
CID 79938282
N-ethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-amine
CID 79930957
3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-ol
CID 79935813
3-methyl-2-(2-methylcyclopropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939100
3-methyl-2-(2-phenylcyclopropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79916874
trans-(1S,2S)-2-(2-methylpiperidin-1-yl)cyclopentan-1-ol
CID 102734292
3-methyl-2-(3-methylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926371
trans-(1S,2S)-2-(2-methylazepan-1-yl)cyclopentan-1-ol
CID 102734781
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-1-ol
CID 79930431

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-ol (CID 102734859) is trans-(1R,2R)-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-ol is CC1CN2CCCCC2CN1[C@@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-ol?
The InChIKey is SNGZBCCNPRISTG-NWINJMCUSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11-9-15-8-3-2-5-12(15)10-16(11)13-6-4-7-14(13)17/h11-14,17H,2-10H2,1H3/t11?,12?,13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-ol?
trans-(1R,2R)-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-ol has a molecular weight of 238.37 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-ol is sourced from PubChem (CID 102734859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).