(2S)-2-[(2-chlorophenyl)methyl]-4-pyrazin-2-ylmorpholine

C15H16ClN3O — CID 26403575

IUPAC(2S)-2-[(2-chlorophenyl)methyl]-4-pyrazin-2-ylmorpholine
SMILESClc1ccccc1C[C@H]1CN(c2cnccn2)CCO1
InChIInChI=1S/C15H16ClN3O/c16-14-4-2-1-3-12(14)9-13-11-19(7-8-20-13)15-10-17-5-6-18-15/h1-6,10,13H,7-9,11H2/t13-/m0/s1
InChIKeyBSLDWDUBVKKQIX-ZDUSSCGKSA-N
MW289.77 g/mol
LogP2.58
Rot. Bonds3

About (2S)-2-[(2-chlorophenyl)methyl]-4-pyrazin-2-ylmorpholine

(2S)-2-[(2-chlorophenyl)methyl]-4-pyrazin-2-ylmorpholine (PubChem CID 26403575) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is (2S)-2-[(2-chlorophenyl)methyl]-4-pyrazin-2-ylmorpholine.

Molecular Properties

Compound Name(2S)-2-[(2-chlorophenyl)methyl]-4-pyrazin-2-ylmorpholine
PubChem CID26403575
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name(2S)-2-[(2-chlorophenyl)methyl]-4-pyrazin-2-ylmorpholine
SMILESClc1ccccc1C[C@H]1CN(c2cnccn2)CCO1
InChIInChI=1S/C15H16ClN3O/c16-14-4-2-1-3-12(14)9-13-11-19(7-8-20-13)15-10-17-5-6-18-15/h1-6,10,13H,7-9,11H2/t13-/m0/s1
InChIKeyBSLDWDUBVKKQIX-ZDUSSCGKSA-N
XLogP2.58
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]ethanol
CID 125000372
(2S)-2-[(2-chlorophenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 42511055
[(2R)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]-cyclopentylmethanone
CID 95123744
2-(chloromethyl)-4-(3-chloro-4-pyridinyl)morpholine
CID 81209519
N,N-dimethyl-4-[2-[(2S)-4-pyrazin-2-ylmorpholin-2-yl]ethyl]pyridin-2-amine
CID 125020057
4-benzyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,4-oxazepane
CID 135111107
4-[2-[(2S)-4-pyrazin-2-ylmorpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137145707
(2-ethylmorpholin-4-yl)-(1-pyrazin-2-ylpiperidin-4-yl)methanone
CID 146086784
N-methyl-4-pyrazin-2-ylmorpholine-2-carboxamide
CID 110268192
2-[(4-methylpyrazol-1-yl)methyl]-4-pyridin-2-ylmorpholine
CID 133281884
[2-[(2-chlorophenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 102604292
1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]-3-pyrazin-2-ylpropan-1-one
CID 25460624

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-chlorophenyl)methyl]-4-pyrazin-2-ylmorpholine?
The IUPAC name of (2S)-2-[(2-chlorophenyl)methyl]-4-pyrazin-2-ylmorpholine (CID 26403575) is (2S)-2-[(2-chlorophenyl)methyl]-4-pyrazin-2-ylmorpholine.
What is the SMILES notation for (2S)-2-[(2-chlorophenyl)methyl]-4-pyrazin-2-ylmorpholine?
The canonical SMILES for (2S)-2-[(2-chlorophenyl)methyl]-4-pyrazin-2-ylmorpholine is Clc1ccccc1C[C@H]1CN(c2cnccn2)CCO1.
What is the InChIKey of (2S)-2-[(2-chlorophenyl)methyl]-4-pyrazin-2-ylmorpholine?
The InChIKey is BSLDWDUBVKKQIX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-14-4-2-1-3-12(14)9-13-11-19(7-8-20-13)15-10-17-5-6-18-15/h1-6,10,13H,7-9,11H2/t13-/m0/s1.
What are the key properties of (2S)-2-[(2-chlorophenyl)methyl]-4-pyrazin-2-ylmorpholine?
(2S)-2-[(2-chlorophenyl)methyl]-4-pyrazin-2-ylmorpholine has a molecular weight of 289.77 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-chlorophenyl)methyl]-4-pyrazin-2-ylmorpholine is sourced from PubChem (CID 26403575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).