[4-(aminomethyl)phenyl]-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone

C16H23N3O — CID 60947643

IUPAC[4-(aminomethyl)phenyl]-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
SMILESNCc1ccc(C(=O)N2CCN3CCCCC3C2)cc1
InChIInChI=1S/C16H23N3O/c17-11-13-4-6-14(7-5-13)16(20)19-10-9-18-8-2-1-3-15(18)12-19/h4-7,15H,1-3,8-12,17H2
InChIKeyRSPBLFOWRMABDV-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.46
Rot. Bonds2

About [4-(aminomethyl)phenyl]-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone

[4-(aminomethyl)phenyl]-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone (PubChem CID 60947643) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
PubChem CID60947643
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name[4-(aminomethyl)phenyl]-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
SMILESNCc1ccc(C(=O)N2CCN3CCCCC3C2)cc1
InChIInChI=1S/C16H23N3O/c17-11-13-4-6-14(7-5-13)16(20)19-10-9-18-8-2-1-3-15(18)12-19/h4-7,15H,1-3,8-12,17H2
InChIKeyRSPBLFOWRMABDV-UHFFFAOYSA-N
XLogP1.46
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)phenyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63168351
[4-(aminomethyl)phenyl]-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride
CID 119858151
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-hydrazinylphenyl)methanone
CID 79946058
(4-benzylphenyl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 25031425
[4-(bromomethyl)phenyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 102851595
2-[4-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]phenyl]phenyl]-N-methylacetamide
CID 126450765
1-[4-(aminomethyl)benzoyl]piperidine-3-carboxylic acid
CID 61157537
2-[4-(aminomethyl)phenyl]-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63591390
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(3,5-dibromophenyl)methanone
CID 103908312
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 103998528
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3-aminophenyl)methanone;dihydrochloride
CID 119881540

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone?
The IUPAC name of [4-(aminomethyl)phenyl]-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone (CID 60947643) is [4-(aminomethyl)phenyl]-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone?
The canonical SMILES for [4-(aminomethyl)phenyl]-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone is NCc1ccc(C(=O)N2CCN3CCCCC3C2)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone?
The InChIKey is RSPBLFOWRMABDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c17-11-13-4-6-14(7-5-13)16(20)19-10-9-18-8-2-1-3-15(18)12-19/h4-7,15H,1-3,8-12,17H2.
What are the key properties of [4-(aminomethyl)phenyl]-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone?
[4-(aminomethyl)phenyl]-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone has a molecular weight of 273.38 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone is sourced from PubChem (CID 60947643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).