2-[(Z)-1-amino-2-(7-amino-2-piperidin-4-yl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]-4-fluorophenol

C20H29FN6O — CID 163294362

IUPAC2-[(Z)-1-amino-2-(7-amino-2-piperidin-4-yl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]-4-fluorophenol
SMILESNC1=C(/C=C(\N)c2cc(F)ccc2O)N2CCN(C3CCNCC3)CC2CN1
InChIInChI=1S/C20H29FN6O/c21-13-1-2-19(28)16(9-13)17(22)10-18-20(23)25-11-15-12-26(7-8-27(15)18)14-3-5-24-6-4-14/h1-2,9-10,14-15,24-25,28H,3-8,11-12,22-23H2/b17-10-
InChIKeyLSFAPSNOLTYDTE-YVLHZVERSA-N
MW388.49 g/mol
LogP0.30
Rot. Bonds3

About 2-[(Z)-1-amino-2-(7-amino-2-piperidin-4-yl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]-4-fluorophenol

2-[(Z)-1-amino-2-(7-amino-2-piperidin-4-yl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]-4-fluorophenol (PubChem CID 163294362) has the molecular formula C20H29FN6O and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-[(Z)-1-amino-2-(7-amino-2-piperidin-4-yl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[(Z)-1-amino-2-(7-amino-2-piperidin-4-yl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]-4-fluorophenol
PubChem CID163294362
Molecular FormulaC20H29FN6O
Molecular Weight388.49 g/mol
Exact Mass388.24
IUPAC Name2-[(Z)-1-amino-2-(7-amino-2-piperidin-4-yl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]-4-fluorophenol
SMILESNC1=C(/C=C(\N)c2cc(F)ccc2O)N2CCN(C3CCNCC3)CC2CN1
InChIInChI=1S/C20H29FN6O/c21-13-1-2-19(28)16(9-13)17(22)10-18-20(23)25-11-15-12-26(7-8-27(15)18)14-3-5-24-6-4-14/h1-2,9-10,14-15,24-25,28H,3-8,11-12,22-23H2/b17-10-
InChIKeyLSFAPSNOLTYDTE-YVLHZVERSA-N
XLogP0.30
TPSA102.81 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 50.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-[(Z)-1-amino-2-(7-amino-2-piperidin-4-yl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]-4-fluorophenol with MolForge

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Related Compounds

2-(((1-Benzylpiperidin-4-yl)amino)methyl)phenol
CID 4792504
2-({3-[(3-Fluorophenyl)amino]-1-piperidinyl}methyl)phenol
CID 45249781
2-[[4-(1,4-Dihydropyrimidin-6-yl)piperazin-1-yl]methyl]-6-fluorophenol
CID 68539615
2-[[4-(1,2-Dihydropyrimidin-6-yl)piperazin-1-yl]methyl]-6-fluorophenol
CID 68539618
2-[[4-(1,4-Dihydropyrimidin-6-yl)piperazin-1-yl]methyl]-4-fluorophenol
CID 68541593
2-[[4-(1,2-Dihydropyrimidin-6-yl)piperazin-1-yl]methyl]-4-fluorophenol
CID 68541594
4-Fluoro-2-(piperazin-1-ylmethyl)phenol
CID 82268248
2-Fluoro-6-[(piperazin-1-yl)methyl]phenol
CID 82508070
5-fluoro-2-(1-piperazinylmethyl)Phenol
CID 82612416
2-[Amino(piperidin-4-ylidene)methyl]-5-fluorophenol
CID 90706998
4-Fluoro-2-[(piperidin-4-ylamino)methyl]phenol
CID 118140415
2-[[(2E)-2-[(3Z,4E)-3-ethylidene-4-[[methyl(piperidin-4-yl)amino]methylidene]hex-5-en-2-ylidene]-3-methylidenepiperazin-1-yl]methyl]-3,6-difluorophenol
CID 135229978

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-amino-2-(7-amino-2-piperidin-4-yl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]-4-fluorophenol?
The IUPAC name of 2-[(Z)-1-amino-2-(7-amino-2-piperidin-4-yl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]-4-fluorophenol (CID 163294362) is 2-[(Z)-1-amino-2-(7-amino-2-piperidin-4-yl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]-4-fluorophenol.
What is the SMILES notation for 2-[(Z)-1-amino-2-(7-amino-2-piperidin-4-yl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]-4-fluorophenol?
The canonical SMILES for 2-[(Z)-1-amino-2-(7-amino-2-piperidin-4-yl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]-4-fluorophenol is NC1=C(/C=C(\N)c2cc(F)ccc2O)N2CCN(C3CCNCC3)CC2CN1.
What is the InChIKey of 2-[(Z)-1-amino-2-(7-amino-2-piperidin-4-yl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]-4-fluorophenol?
The InChIKey is LSFAPSNOLTYDTE-YVLHZVERSA-N. The full InChI is InChI=1S/C20H29FN6O/c21-13-1-2-19(28)16(9-13)17(22)10-18-20(23)25-11-15-12-26(7-8-27(15)18)14-3-5-24-6-4-14/h1-2,9-10,14-15,24-25,28H,3-8,11-12,22-23H2/b17-10-.
What are the key properties of 2-[(Z)-1-amino-2-(7-amino-2-piperidin-4-yl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]-4-fluorophenol?
2-[(Z)-1-amino-2-(7-amino-2-piperidin-4-yl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]-4-fluorophenol has a molecular weight of 388.49 g/mol, XLogP of 0.30, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-amino-2-(7-amino-2-piperidin-4-yl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]-4-fluorophenol is sourced from PubChem (CID 163294362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).